Hydrochloric Acid

Hydrochloric Acid

SCHEMBL201248

COC(=O)C1CSCN1.Cl

nearest known ligand 0.43

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
CHRNB4 known ✓ P30926 1/20 0.33
CHRNA3 known ✓ P32297 1/20 0.33
CHRNA7 known ✓ P36544 1/20 0.33
GAA known ✓ P10253 1/20 0.32
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TSHR P16473 1/20 0.31

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
Hydrochloric Acid SCHEMBL7350919 1.00 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL201249 1.00 KMT2A (0.41) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5224314 0.98
SCHEMBL11122946 0.98
SCHEMBL3361966 0.98
Hydrochloric Acid SCHEMBL6395633 0.94 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL6392619 0.94 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2675695 0.82 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5362921 0.82 KMT2A (0.40) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28052844 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574953-A A kind of preparation method of 4-thiazolecarboxylic acid 江苏诺恩作物科学股份有限公司 2019-04-05 CN claimed
US-11505617-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2022-11-22 US disclosed
CN-108727407-B Novel benzodiazepine derivatives 伊缪诺金公司 2022-01-28 CN disclosed
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 US disclosed
CN-105198908-B Novel benzodiazepine derivatives 伊缪诺金公司 2019-12-24 CN disclosed
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-12 US disclosed
US-10208127-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-02-19 US disclosed
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2018-12-13 US disclosed
EP-3100745-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2018-04-18 EP disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 US disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 US disclosed
EP-1963262-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
WO-2007069020-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-06-21 WO disclosed
EP-0091525-A2 Phosphonoalkanoylamino acids ANALYTICAL RESEARCH PHARMACEUTICALS PTY. LTD. (AU) 1983-10-19 EP disclosed
US-4374249-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-02-15 US disclosed
EP-0070131-A1 Phosphonoalkanoylamino acids ANALYTICAL RESEARCH PHARMACEUTICALS PTY. LTD. (AU) 1983-01-19 EP disclosed
US-4316896-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1982-02-23 US disclosed
EP-0009183-B1 PHOSPHORYL AMINOACID DERIVATIVES AND COMPOSITION FOR TREATING HYPERTENSION CONTAINING THE SAME MERCK & CO. INC. (US) 1981-10-21 EP disclosed
US-4066749-A Tetrapeptide analog of TRH MERCK & CO., INC. (US) 1978-01-03 US 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 (8 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-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CHRNB4 132/4885CHRNA3 44/4885CHRNA7 73/4885
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CHRNB4 132/4885CHRNA3 44/4885CHRNA7 73/4885
US-10208127-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 CHRNB4 115/4885CHRNA3 37/4885CHRNA7 66/4885
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CHRNB4 132/4885CHRNA3 44/4885CHRNA7 73/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CHRNB4 132/4885CHRNA3 44/4885CHRNA7 73/4885
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY NAAA, HDHD5, HACL2 CHRNB4 4859/4885CHRNA3 4816/4885CHRNA7 4814/4885
US-11505617-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 CHRNB4 115/4885CHRNA3 37/4885CHRNA7 66/4885
US-10947315-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 CHRNB4 115/4885CHRNA3 37/4885CHRNA7 66/4885

“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.