Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19711967

CCSc1c(C(=O)O)nc2cc(C(F)(F)F)ccn12.Cl

nearest known ligand 0.39

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 15)

geneUniProtsupporting neighboursconfidence
NTRK1 known ✓ P04629 1/20 0.32
NTRK2 known ✓ Q16620 1/20 0.32
USP7 Q93009 1/20 0.39
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PIN1 Q13526 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 2/20 0.34
MAT2A P31153 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL19712036 0.99 USP7 (0.39) USP7TRPA1ALDH1A1PIN1PTGDR2
SCHEMBL19711920 0.89 USP7 (0.39) USP7TRPA1ALDH1A1PTGDR2POLB
SCHEMBL20781347 0.88 USP7 (0.41) USP7TRPA1ALDH1A1PTGDR2KDM4E
SCHEMBL19711966 0.88 USP7 (0.39) USP7TRPA1ALDH1A1PTGDR2POLB
SCHEMBL20765235 0.86 KDM4E (0.46) USP7TRPA1ALDH1A1PTGDR2KDM4E
SCHEMBL19711996 0.85 PTGS1 (0.42) ALDH1A1POLBKDM4ENPC1RAB9A
SCHEMBL19711983 0.82 USP7 (0.35) USP7TRPA1ALDH1A1PTGDR2POLB
Hydrochloric Acid SCHEMBL19712038 0.82 TRPA1 (0.38) USP7TRPA1ALDH1A1PTGDR2POLB
SCHEMBL29937915 0.82 ALDH1A1 (0.35) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19712030 0.81 USP7 (0.40) USP7TRPA1ALDH1A1PTGDR2MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257853-B1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL CORP (JP) 2021-11-10 EP disclosed
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL CORPORATION (JP) 2021-01-21 US disclosed
US-10882869-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2021-01-05 US disclosed
US-10464950-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2019-11-05 US disclosed
US-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-25 US disclosed
EP-3257853-A1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2017-12-20 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 (4 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-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 NTRK1 1081/4885NTRK2 827/4885USP7 4156/4885
US-10882869-B2 Condensed heterocyclic compounds and pesticides CNPY3, CNPY2, CHRM1 NTRK1 3544/4885NTRK2 2065/4885USP7 3940/4885
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 NTRK1 1081/4885NTRK2 827/4885USP7 4156/4885
US-10464950-B2 Condensed heterocyclic compounds and pesticides HDAC3, CHRM3, NR1D2 NTRK1 1081/4885NTRK2 827/4885USP7 4156/4885

“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.