Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2010680

Cl.O=C(O)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.78

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 16)

geneUniProtsupporting neighboursconfidence
KCNK3 known ✓ O14649 2/20 0.78
KCNK9 known ✓ Q9NPC2 2/20 0.78
SMO Q99835 2/20 0.66
MAPT P10636 2/20 0.65
PTGES O14684 1/20 0.63
NPC1 O15118 1/20 0.62
LMNA P02545 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
TP53 P04637 1/20 0.59
F2R P25116 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL1811041 0.98 KCNK3 (0.81) KCNK3KCNK9SMOMAPTPTGES
Ether SCHEMBL2011650 0.88 KCNK3 (0.66) KCNK3KCNK9SMOMAPTPTGES
SCHEMBL2005896 0.87 KCNK3 (0.76) KCNK3KCNK9SMOMAPTPTGES
Hydrochloric Acid SCHEMBL2105080 0.86 MEN1 (0.64) KCNK3KCNK9MAPTNPC1LMNA
Hydrochloric Acid SCHEMBL2103616 0.85 NPC1 (0.61) KCNK3KCNK9NPC1LMNARAB9A
SCHEMBL2058337 0.84 ALDH1A1 (0.71) KCNK3KCNK9NPC1LMNARAB9A
Hydrochloric Acid SCHEMBL2108041 0.83 PYGL (0.56) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL1813249 0.83 RAB9A (0.81) KCNK3KCNK9MAPTPTGESNPC1
Hydrochloric Acid SCHEMBL2106175 0.82 KMT2A (0.87) KCNK3KCNK9NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL2107304 0.82 KCNK3 (0.78) KCNK3KCNK9MAPTNPC1RAB9A

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
EP-2535327-A1 Insecticidal 3-acylaminobenzanilides Bayer CropScience AG (DE) 2012-12-19 EP disclosed
US-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-7964735-B2 Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG (DE) 2011-06-21 US disclosed
US-20090215623-A1 Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
US-20090192167-A1 Insecticidal and fungicidal composition MITSUI CHEMICALS, INC. (JP) 2009-07-30 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 US disclosed
EP-1938685-A1 INSECTICIDAL AND BACTERICIDAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-07-02 EP disclosed
EP-1913815-A1 PEST CONTROL COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-04-23 EP disclosed
EP-1912933-A1 INSECTICIDAL 3-ACYLAMINOBENZANILIDES Bayer CropScience AG (DE) 2008-04-23 EP disclosed
WO-2007017075-A1 INSECTICIDAL 3-ACYLAMINOBENZANILIDES BAYER CROPSCIENCE AG (DE) 2007-02-15 WO 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-20090192167-A1 Insecticidal and fungicidal composition NOX3, PRDX1, CYP4X1 KCNK3 673/4885KCNK9 1825/4885SMO 4102/4885
US-20090215623-A1 Insecticidal 3-acylaminobenzanilides CBR3, AADAC, DDT KCNK3 65/4885KCNK9 354/4885SMO 4727/4885
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 KCNK3 2594/4885KCNK9 3056/4885SMO 4154/4885

“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.