Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15475839

Cl.O/N=C\C1=NCCN1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 known ✓ Q99720 1/20 0.40
▸ JAK2 known ✓ O60674 1/20 0.36
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP2A13 Q16696 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RX7 Q99572 3/20 0.37
▸ PAX8 Q06710 1/20 0.36

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 SCHEMBL15475840 1.00 MEN1 (0.41) MEN1KMT2ACYP2A13ALDH1A1POLB
SCHEMBL15475842 0.99 CYP2A13 (0.42) MEN1KMT2ACYP2A13ALDH1A1POLB
Hydrochloric Acid SCHEMBL9941882 0.93 MEN1 (0.47) MEN1KMT2ACYP2A13ALDH1A1POLB
Hydrochloric Acid SCHEMBL15475519 0.93 MEN1 (0.47) MEN1KMT2ACYP2A13ALDH1A1POLB
SCHEMBL15475520 0.91 MEN1 (0.46) MEN1KMT2ACYP2A13ALDH1A1POLB
Hydrochloric Acid SCHEMBL15475580 0.76 HTR1D (0.40) MEN1KMT2APOLBSIGMAR1HTT
Hydrochloric Acid SCHEMBL15475464 0.68 CASP1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10686710 0.68 SIGMAR1 (0.57) MEN1KMT2ACYP2A13ALDH1A1SIGMAR1
SCHEMBL10690514 0.68 SIGMAR1 (0.47) MEN1KMT2ACYP2A13ALDH1A1SIGMAR1
SCHEMBL15475467 0.67 CASP1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570088-B2 Blood brain barrier-penetrating oximes for cholinesterase reactivation HUMAN BIOMOLECULAR RES FOUNDATION (US) 2020-02-25 — — US disclosed
US-20170349538-A1 Blood Brain Barrier-Penetrating Oximes for Cholinesterase Reactivation Human BioMolecular Research Foundation (US) 2017-12-07 — — US disclosed
US-9751831-B2 Blood brain barrier-penetrating oximes for cholistenerases reactivation HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-09-05 — — US disclosed
US-20140051712-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2014-02-20 — — 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 (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-10570088-B2 Blood brain barrier-penetrating oximes for cholinesterase reactivation ACHE, BCHE, PYGB SIGMAR1 4031/4885JAK2 4728/4885MEN1 3983/4885
US-20140051712-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION BCHE, ACHE, PYGB SIGMAR1 3810/4885JAK2 4832/4885MEN1 3539/4885
US-20170349538-A1 Blood Brain Barrier-Penetrating Oximes for Cholinesterase Reactivation ACHE, BCHE, PYGB SIGMAR1 4031/4885JAK2 4728/4885MEN1 3983/4885

“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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