Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2585553

COc1ccc(OC)c(N)c1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
GAA known ✓ P10253 2/20 0.61
CA2 known ✓ P00918 1/20 0.60
ADRA1A known ✓ P35348 1/20 0.50
ADRA2B known ✓ P18089 1/20 0.48
PTGS1 known ✓ P23219 1/20 0.48
ALDH1A1 P00352 7/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 2/20 1.00
THRB P10828 2/20 1.00
CYP3A4 P08684 3/20 0.69
TDP1 Q9NUW8 4/20 0.61
BLM P54132 2/20 0.61
KDM4E B2RXH2 1/20 0.61
RECQL P46063 1/20 0.61
MCL1 Q07820 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA7 P43166 1/20 0.60

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
SCHEMBL92071 0.98 ALDH1A1 (0.95) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL28683526 0.95 ALDH1A1 (0.91) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL15938210 0.86 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AMAPTTHRB
Aniline SCHEMBL22169118 0.86 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL19692591 0.86 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL10818801 0.85 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL24187387 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL30839723 0.83 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL30839719 0.83 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL30839720 0.83 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1800185-A Substituted sulfonamide compounds, process for their use as medicament for the treatment of CNS disorders, obesity and type II diabetes. BIOVITRUM AB (SE) 2006-07-12 CN claimed
CN-1522245-A Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes �Ȱ�ά����ķ�ɷݹ�˾ 2004-08-18 CN claimed
US-8796316-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2014-08-05 US disclosed
US-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ (BR) 2013-10-17 US disclosed
US-8436027-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2013-05-07 US disclosed
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ - FIOCRUZ (BR) 2011-11-03 US disclosed
CN-101402601-A Substituted sulfonamide compounds, process for their use as medicament for the treatment of cns disorders, obesity and type ii diabetes BIOVITRUM AB PUBL (SE) 2009-04-08 CN disclosed
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS BOECHAT NUBIA 2009-02-26 US disclosed
CN-100457726-C Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes CAMBRIDGE BIOTECHNOLOGY LTD (SE) 2009-02-04 CN disclosed
EP-1976832-A2 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS Fundacao Oswaldo Cruz - Fiocruz (BR) 2008-10-08 EP disclosed
WO-2007019660-A2 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS Fundação Oswaldo Cruz - FIOCRUZ (BR) 2007-02-22 WO disclosed
CN-1800185-A Substituted sulfonamide compounds, process for their use as medicament for the treatment of CNS disorders, obesity and type II diabetes. BIOVITRUM AB (SE) 2006-07-12 CN disclosed
CN-1522245-A Substituted sulfonamide compounds, process for their preparation and their use as medicaments for the treatment of CNS disorders, obesity and type II diabetes �Ȱ�ά����ķ�ɷݹ�˾ 2004-08-18 CN disclosed
US-6737517-B2 AZO GROUP CONTAINING TRANSITION METAL COMPLEX DYE EXHIBITS A GOOD ACHROMATICITY AS WELL AS A GOOD LIGHT-RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-18 US disclosed
US-20030149251-A1 Metal chelated azo dyestuff for inkjet recording and recording liquid for inkjet and inkjet recording method using same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-07 US disclosed
EP-1260556-A1 METAL CHELATE AZO DYE FOR INK-JET RECORDING, INK-JET RECORDING FLUID CONTAINING THE SAME, AND METHOD OF INK-JET RECORDING MITSUBISHI CHEMICAL CORPORATION (JP) 2002-11-27 EP 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 (3 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-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CYP51A1, IPO5, TBC1D5 GAA 64/4885CA2 984/4885ADRA1A 2307/4885
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 GAA 3120/4885CA2 2450/4885ADRA1A 1171/4885
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 GAA 3013/4885CA2 2416/4885ADRA1A 1317/4885

“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.