Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5526375

CC(N)COc1cc(F)ccc1F.Cl

nearest known ligand 0.47

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
SCN1A known ✓ P35498 2/20 0.42
SCN5A known ✓ Q14524 2/20 0.42
SCN9A known ✓ Q15858 2/20 0.42
GAA known ✓ P10253 1/20 0.41
SCN4A known ✓ P35499 3/20 0.40
KCNK3 known ✓ O14649 1/20 0.40
CACNA1F known ✓ O60840 1/20 0.40
MAOA known ✓ P21397 1/20 0.40
HTR2A known ✓ P28223 1/20 0.40
SLC6A4 known ✓ P31645 1/20 0.40
HTR2B known ✓ P41595 1/20 0.40
SCN7A known ✓ Q01118 1/20 0.40
CACNA1D known ✓ Q01668 1/20 0.40
KCNH2 known ✓ Q12809 1/20 0.40
CACNA1S known ✓ Q13698 1/20 0.40
CACNA1C known ✓ Q13936 1/20 0.40
SCN2A known ✓ Q99250 1/20 0.40
SCN3A known ✓ Q9NY46 1/20 0.40
SCN11A known ✓ Q9UI33 1/20 0.40
SCN8A known ✓ Q9UQD0 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
Hydrochloric Acid SCHEMBL5526369 1.00 LMNA (0.42) LMNASCN1ASCN5ASCN9AALDH1A1
SCHEMBL1696843 0.84 ALDH1A1 (0.42) LMNASCN1ASCN5ASCN9AALDH1A1
SCHEMBL13320912 0.84 ALDH1A1 (0.42) LMNASCN1ASCN5ASCN9AALDH1A1
SCHEMBL24225596 0.84 ALDH1A1 (0.44) ALDH1A1GAAMAOA
SCHEMBL9030419 0.81 FFAR1 (0.43) LMNASCN1ASCN5ASCN9AALDH1A1
SCHEMBL9030426 0.81 FFAR1 (0.43) LMNASCN1ASCN5ASCN9AALDH1A1
SCHEMBL8681856 0.80 L3MBTL1 (0.49) LMNASCN1ASCN5ASCN9AALDH1A1
SCHEMBL5521558 0.80 L3MBTL1 (0.49) LMNASCN1ASCN5ASCN9AALDH1A1
Hydrochloric Acid SCHEMBL31661870 0.76 SCN5A (0.46) LMNASCN1ASCN5ASCN9AALDH1A1
SCHEMBL12804484 0.76 MRGPRX4 (0.44) ALDH1A1GAACYP3A4

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-7202404-B2 Fungicidal amides BASARAB GREGORY S 2007-04-10 US disclosed
US-6683212-B1 N-(1-(2-NAPHTHALENYL)ETHYL)CYCLOBUTANECARBOXAMIDE DERIVATIVES; PLANT DISEASES; CROPS; AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY 2004-01-27 US disclosed
US-20030191189-A1 Fungicidal amides BASARAB GREGORY S (US) 2003-10-09 US disclosed
US-6504058-B1 (1(R)-cis)-3-chloro-1,3-dimethyl-N-(1-(2-napthalenyl)ethyl) -cyclobutanecarboxamide and/or isomers, used for controlling plant diseases caused by fungi THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-01-07 US disclosed
WO-1999031048-A1 FUNGICIDAL AMIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 1999-06-24 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 (1 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-20030191189-A1 Fungicidal amides CBR1, CBR3, CYCS SCN1A 465/4885SCN5A 1185/4885SCN9A 1244/4885

“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.