Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17560917

Cl.N=C(NN=Cc1c(Cl)cccc1Cl)NN=Cc1c(Cl)cccc1Cl

nearest known ligand 0.58

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
▸ GAA known ✓ P10253 1/20 0.46
▸ HTR1A known ✓ P08908 1/20 0.44
▸ ADRA2A known ✓ P08913 1/20 0.44
▸ CHRM1 known ✓ P11229 1/20 0.44
▸ ADRA2B known ✓ P18089 1/20 0.44
▸ ADRA2C known ✓ P18825 1/20 0.44
▸ MAOA known ✓ P21397 1/20 0.44
▸ DRD1 known ✓ P21728 1/20 0.44
▸ SLC6A2 known ✓ P23975 1/20 0.44
▸ ADRA1D known ✓ P25100 1/20 0.44
▸ HTR2A known ✓ P28223 1/20 0.44
▸ HTR2C known ✓ P28335 1/20 0.44
▸ SLC6A4 known ✓ P31645 1/20 0.44
▸ ADRA1A known ✓ P35348 1/20 0.44
▸ OPRM1 known ✓ P35372 1/20 0.44
▸ DRD3 known ✓ P35462 1/20 0.44
▸ HTR2B known ✓ P41595 1/20 0.44
▸ SLC6A3 known ✓ Q01959 1/20 0.44
▸ POLB P06746 2/20 0.58
▸ HTT P42858 2/20 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
SCHEMBL19449739 0.98 POLB (0.60) POLBHTTKMT2AMEN1CYP1A2
Guanoxabenz SCHEMBL10409620 0.89 POLB (0.55) POLBHTTKMT2AMEN1CYP1A2
Guanoxabenz SCHEMBL122726 0.89 POLB (0.55) POLBHTTKMT2AMEN1CYP1A2
SCHEMBL21226661 0.89 NPSR1 (0.65) POLBHTTKMT2AMEN1CYP1A2
SCHEMBL21538097 0.88 HTT (0.67) POLBHTTKMT2AMEN1CYP1A2
Iodide SCHEMBL21519406 0.86 POLB (0.65) POLBHTTKMT2AMEN1CYP1A2
Guanabenz SCHEMBL11685908 0.86 POLB (0.55) POLBHTTKMT2AMEN1CYP1A2
Guanabenz SCHEMBL170112 0.86 POLB (0.55) POLBHTTKMT2AMEN1CYP1A2
SCHEMBL21538075 0.84 KMT2A (0.50) POLBHTTKMT2AMEN1CYP1A2
Guanoxabenz SCHEMBL7199677 0.84 POLB (0.50) POLBHTTKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 — — EP claimed
US-10370341-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-08-06 — — US claimed
US-10253002-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-04-09 — — US claimed
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 — — US claimed
EP-3188722-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS Neoculi Pty Ltd (AU) 2017-07-12 — — EP claimed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 — — WO claimed
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 — — 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 (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-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B GAA 318/4885HTR1A 3727/4885ADRA2A 3292/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS GAA 231/4885HTR1A 2706/4885ADRA2A 2767/4885
US-10253002-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B GAA 318/4885HTR1A 3727/4885ADRA2A 3292/4885

“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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