Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1099536

Cc1c(N)sc2ccccc12.Cl

nearest known ligand 0.50

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
ROCK1 known ✓ Q13464 1/20 0.46
GLA known ✓ P06280 1/20 0.40
GAA known ✓ P10253 1/20 0.40
IDO1 P14902 5/20 0.50
TDO2 P48775 2/20 0.50
GPR3 P46089 1/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LIMK1 P53667 2/20 0.40
IKBKB O14920 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL1107187 0.98 IDO1 (0.51) IDO1TDO2GPR3ROCK1ALDH1A1
Hydrochloric Acid SCHEMBL9404602 0.77 GPR3 (0.52) IDO1TDO2GPR3ALDH1A1MAPT
SCHEMBL144440 0.75 GPR3 (0.55) IDO1TDO2GPR3ROCK1ALDH1A1
SCHEMBL3769911 0.75 GPR3 (0.55) IDO1TDO2GPR3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL14246844 0.74 LOXL2 (0.57) IDO1TDO2GPR3ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL28459123 0.73 GPR3 (0.52) IDO1TDO2GPR3ROCK1ALDH1A1
Iodide SCHEMBL30577896 0.73 GPR3 (0.52) IDO1TDO2GPR3ALDH1A1MAPT
SCHEMBL9407733 0.71 GPR3 (0.50) GPR3ROCK1ALDH1A1MAPTHPGD
SCHEMBL14315167 0.71 LOXL2 (0.59) IDO1TDO2GPR3ALDH1A1MAPT
SCHEMBL1121831 0.71 GPR3 (0.50) IDO1TDO2GPR3ROCK1ALDH1A1

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
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-9233947-B2 Sulfamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2016-01-12 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-20140243329-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-08-28 US disclosed
US-8809327-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-08-19 US disclosed
US-8748478-B2 Sulfamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-06-10 US disclosed
EP-2379521-B1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-22 EP disclosed
US-20130237547-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-12 US disclosed
US-8436041-B2 Sulfamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-05-07 US disclosed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP disclosed
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS BRANUM SHAWN T (US) 2012-07-26 US disclosed
US-8216547-B2 Radiolabelled TRP M8 receptor ligands JANSSEN PHARMACEUTICA NV (BE) 2012-07-10 US disclosed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
US-20100160337-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2010-06-24 US disclosed
US-20100015053-A1 RADIOLABELLED TRP M8 RECEPTOR LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 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 (7 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-20100015053-A1 RADIOLABELLED TRP M8 RECEPTOR LIGANDS TRPM8, TRPM7, GPR68 ROCK1 3760/4885GLA 3837/4885GAA 4250/4885
US-20130237547-A1 SULFAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ROCK1 2897/4885GLA 3618/4885GAA 2702/4885
US-20100160337-A1 SULFAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ROCK1 2897/4885GLA 3618/4885GAA 2702/4885
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ROCK1 4257/4885GLA 2575/4885GAA 1331/4885
US-20140243329-A1 SULFAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ROCK1 2897/4885GLA 3618/4885GAA 2702/4885
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ROCK1 4257/4885GLA 2575/4885GAA 1331/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 ROCK1 4257/4885GLA 2575/4885GAA 1331/4885

“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.