Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6066493

Cl.NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.52

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
CA2 known ✓ P00918 2/20 0.52
SCN9A known ✓ Q15858 7/20 0.49
HRH3 known ✓ Q9Y5N1 1/20 0.43
CA1 P00915 2/20 0.52
MAPT P10636 1/20 0.52
F10 P00742 5/20 0.50
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
PRSS1 P07477 3/20 0.47
F2 P00734 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
ALOX5AP P20292 1/20 0.43

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
SCHEMBL7112362 0.98 F10 (0.51) CA1CA2MAPTF10SCN9A
SCHEMBL8350056 0.85 CA1 (0.54) CA1CA2SCN9ACA12CA4
SCHEMBL7265172 0.85 MAOB (0.56) CA1CA2SCN9ACA12CA4
SCHEMBL22588242 0.84 SCN9A (0.53) CA1CA2F10SCN9ACA12
SCHEMBL7801644 0.83 SCN9A (0.55) CA1CA2SCN9ACA12CA4
SCHEMBL6303171 0.83 F10 (0.48) F10TAAR1PRSS1F2PRSS2
Hydrochloric Acid SCHEMBL6399557 0.81 CA2 (0.50) CA1CA2F10SCN9ACA12
SCHEMBL48885 0.79 CA2 (0.52) CA1CA2F10SCN9ACA12
SCHEMBL7261137 0.79 SCN9A (0.55) CA1CA2F10SCN9A
SCHEMBL6776216 0.79 EDNRA (0.53) CA1CA2SCN9ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067665-B2 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-27 US disclosed
US-6953857-B2 Oxybenzamide derivatives useful for inhibiting factor Xa or viia AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-11 US disclosed
US-20050165058-A1 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-28 US disclosed
EP-1349847-B1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
CN-1481376-A HYDROXYBENZAMIDE DERIVATIVES AS FACTOR XA INHIBITORS ���ĵ�˹ҩ��¹����޹�˾ 2004-03-10 CN disclosed
EP-1349847-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-10-08 EP disclosed
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
WO-2002051831-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-04 WO disclosed
EP-1217000-A1 Inhibitors of factor Xa and factor VIIa Aventis Pharma Deutschland GmbH (DE) 2002-06-26 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 (2 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-20050165058-A1 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla F12, F11, F5 CA2 3163/4885SCN9A 1137/4885HRH3 780/4885
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa F9, F11, F5 CA2 2450/4885SCN9A 1048/4885HRH3 1130/4885

“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.