Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8550499

Cl.NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.56

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
HDAC3 known ✓ O15379 1/20 0.52
HDAC4 known ✓ P56524 1/20 0.52
HDAC1 known ✓ Q13547 1/20 0.52
HDAC7 known ✓ Q8WUI4 1/20 0.52
HDAC2 known ✓ Q92769 1/20 0.52
HDAC10 known ✓ Q969S8 1/20 0.52
HDAC11 known ✓ Q96DB2 1/20 0.52
HDAC8 known ✓ Q9BY41 1/20 0.52
HDAC6 known ✓ Q9UBN7 1/20 0.52
HDAC9 known ✓ Q9UKV0 1/20 0.52
HDAC5 known ✓ Q9UQL6 1/20 0.52
SRC known ✓ P12931 1/20 0.48
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CTSD P07339 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
EPHX1 P07099 1/20 0.50
POLB P06746 1/20 0.48
CYP2D6 P10635 2/20 0.48

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
SCHEMBL741751 0.97 MEN1 (0.58) MEN1KMT2ACTSDTDP1L3MBTL1
Acetic Acid SCHEMBL9853044 0.91 MEN1 (0.53) MEN1KMT2ACTSDTDP1L3MBTL1
Thiourea SCHEMBL29061164 0.87 MEN1 (0.50) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL28038711 0.87 KMT2A (0.54) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL2205442 0.85 SLC6A2 (0.54) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL7758852 0.85 MEN1 (0.77) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL28807102 0.85 MEN1 (0.53) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL4481763 0.85 MEN1 (0.53) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL28741668 0.85 MEN1 (0.49) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL4505807 0.85 HTT (0.56) MEN1KMT2ACTSDTDP1L3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105481736-A Phenylglycine-containing cinnamamide histone deacetylase inhibitor, and preparation method and application thereof UNIV SHANDONG 2016-04-13 CN claimed
CN-102641265-A Kappa-opiate agonists for the treatment of diarrhea-predominant and alternating irritable bowel syndrome TIOGA PHARMACEUTICALS INC 2012-08-22 CN claimed
CN-101677997-B Kappa-opiate agonists for the treatment of diarrhea-predominant and alternating irritable bowel syndrome TIOGA PHARMACEUTICALS INC 2012-05-09 CN claimed
US-20230398093-A1 ANTI-METHANOGENIC LOVASTATIN ANALOGS OR DERIVATIVES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2023-12-14 US disclosed
CN-105481736-A Phenylglycine-containing cinnamamide histone deacetylase inhibitor, and preparation method and application thereof UNIV SHANDONG 2016-04-13 CN disclosed
CN-102641265-A Kappa-opiate agonists for the treatment of diarrhea-predominant and alternating irritable bowel syndrome TIOGA PHARMACEUTICALS INC 2012-08-22 CN disclosed
CN-101677997-B Kappa-opiate agonists for the treatment of diarrhea-predominant and alternating irritable bowel syndrome TIOGA PHARMACEUTICALS INC 2012-05-09 CN disclosed
CN-1119147-C Kappa-opiate agonists for inflammatory bowel disorders MERCK PATENT GMBH (DE) 2003-08-27 CN disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
CN-1145781-A Kappa-opiate agonists for inflammatory bowel disorders MERCK PATENT GMBH (DE) 1997-03-26 CN 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 (1 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-20230398093-A1 ANTI-METHANOGENIC LOVASTATIN ANALOGS OR DERIVATIVES AND USES THEREOF HMGCR, SI, SLC10A2 HDAC3 2777/4885HDAC4 2151/4885HDAC1 3752/4885

“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.