Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2105696

Cl.O=C(O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.69

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
▸ GAA known ✓ P10253 1/20 0.60
▸ KCNK9 known ✓ Q9NPC2 1/20 0.56
▸ NPC1 O15118 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ NR1H4 Q96RI1 9/20 0.67
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HPSE Q9Y251 1/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MITF O75030 1/20 0.60
▸ TRPV1 Q8NER1 4/20 0.59
▸ POLB P06746 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56

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
Hydrochloric Acid SCHEMBL2107074 0.90 NR1H4 (0.63) NPC1RAB9ANR1H4SMN1; SMN2MEN1
SCHEMBL2105693 0.87 RAB9A (0.69) NPC1RAB9ANR1H4LMNASMN1; SMN2
SCHEMBL12171071 0.85 EPHX2 (0.69) NPC1RAB9ASMN1; SMN2HPSEMEN1
SCHEMBL4517770 0.84 TRPV1 (0.75) NPC1RAB9ALMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2104426 0.83 NR1H4 (0.70) NPC1RAB9ANR1H4LMNAHPSE
SCHEMBL5498009 0.83 RAB9A (0.71) NPC1RAB9ANR1H4LMNASMN1; SMN2
SCHEMBL9249052 0.83 HPSE (0.84) NPC1RAB9ANR1H4HPSEMEN1
SCHEMBL12764060 0.83 RAB9A (0.74) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL28007802 0.83 RAB9A (0.67) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL23070449 0.82 NR1H4 (0.72) NPC1RAB9ANR1H4LMNAHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 — — 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

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-20090192167-A1 Insecticidal and fungicidal composition NOX3, PRDX1, CYP4X1 GAA 2503/4885KCNK9 1825/4885NPC1 3199/4885
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 GAA 2459/4885KCNK9 3056/4885NPC1 2605/4885

“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.

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