Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3133889

Cl.NC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 known ✓ Q04771 2/20 0.64
CHRNA7 known ✓ P36544 1/20 0.53
ADRB1 known ✓ P08588 5/20 0.52
HTR3E known ✓ A5X5Y0 3/20 0.52
HTR3B known ✓ O95264 3/20 0.52
HTR3A known ✓ P46098 3/20 0.52
HTR3D known ✓ Q70Z44 3/20 0.52
HTR3C known ✓ Q8WXA8 3/20 0.52
SIGMAR1 known ✓ Q99720 3/20 0.52
MAOB known ✓ P27338 2/20 0.51
OPRD1 known ✓ P41143 1/20 0.51
ADRB2 known ✓ P07550 1/20 0.47
KDR known ✓ P35968 1/20 0.47
ALDH1A1 P00352 3/20 0.63
USP2 O75604 1/20 0.63
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CHRNA10 Q9GZZ6 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL572738 0.98 ACVR1 (0.66) ACVR1ALDH1A1USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL3214277 0.94 CHRNB2 (0.62) ACVR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL18553807 0.89 LTA4H (0.62) ACVR1ALDH1A1USP2TSHRHSD17B10
Trifluoroacetic Acid SCHEMBL6392063 0.88 ALDH1A1 (0.57) ACVR1ALDH1A1USP2TSHRHSD17B10
Phenylpiperazine SCHEMBL29235064 0.86 TSHR (0.69) ACVR1ALDH1A1USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL4652111 0.84 ALDH1A1 (0.70) ACVR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL2427902 0.83 ALDH1A1 (0.86) ACVR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL598515 0.81 ALDH1A1 (0.72) ACVR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL4299026 0.81 ALDH1A1 (0.57) ACVR1ALDH1A1USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL6503848 0.81 ADRB1 (0.58) ALDH1A1USP2TSHRHSD17B10KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344338-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-07-16 CN disclosed
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2024-07-04 US disclosed
CN-111989322-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 CN disclosed
CN-113214220-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 CN disclosed
US-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith CELGENE CORPORATION (US) 2024-04-02 US disclosed
EP-4272737-A2 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA Celgene Corporation (US) 2023-11-08 EP disclosed
EP-3784663-B1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA CELGENE CORP (US) 2023-07-12 EP disclosed
US-20220306611-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2022-09-29 US disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
US-11358952-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith CELGENE CORPORATION (US) 2022-06-14 US disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP disclosed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith AANAT, HTR2C, AADAT ACVR1 3342/4885CHRNA7 334/4885ADRB1 76/4885
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885CHRNA7 4349/4885ADRB1 1161/4885
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT ACVR1 3342/4885CHRNA7 334/4885ADRB1 76/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885CHRNA7 4349/4885ADRB1 1161/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885CHRNA7 4349/4885ADRB1 1161/4885
US-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 ACVR1 1312/4885CHRNA7 2359/4885ADRB1 1539/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885CHRNA7 4349/4885ADRB1 1161/4885
US-11358952-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith AANAT, HTR2C, AADAT ACVR1 3342/4885CHRNA7 334/4885ADRB1 76/4885
US-20220306611-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT ACVR1 3342/4885CHRNA7 334/4885ADRB1 76/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.