Hydrochloric Acid

Hydrochloric Acid

SCHEMBL528438

Cl.N[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

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
MAOB known ✓ P27338 14/20 0.60
MAOA known ✓ P21397 12/20 0.60
GAA known ✓ P10253 1/20 0.54
HTR1A known ✓ P08908 1/20 0.53
ADRA2A known ✓ P08913 1/20 0.53
SLC6A2 known ✓ P23975 1/20 0.53
HTR2C known ✓ P28335 1/20 0.53
ADRA1A known ✓ P35348 1/20 0.53
DRD3 known ✓ P35462 1/20 0.53
SLC6A3 known ✓ Q01959 1/20 0.53
KCNH2 known ✓ Q12809 1/20 0.53
KDM1A O60341 13/20 0.60
LMNA P02545 2/20 0.56
KDM1B Q8NB78 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
RCOR1 Q9UKL0 2/20 0.56
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54

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 SCHEMBL528437 1.00 MAOB (0.60) MAOBKDM1AMAOALMNAKDM1B
SCHEMBL17722515 0.98 KDM1A (0.62) MAOBKDM1AMAOALMNAKDM1B
SCHEMBL10272649 0.98 KDM1A (0.62) MAOBKDM1AMAOALMNAKDM1B
SCHEMBL18533589 0.98 KDM1A (0.62) MAOBKDM1AMAOALMNAKDM1B
SCHEMBL236400 0.98 KDM1A (0.62) MAOBKDM1AMAOALMNAKDM1B
SCHEMBL236401 0.98 KDM1A (0.62) MAOBKDM1AMAOALMNAKDM1B
Hydrochloric Acid SCHEMBL29721404 0.84 KDM1A (0.64) MAOBKDM1AMAOAKCNH2
Hydrochloric Acid SCHEMBL2560352 0.83 MAOB (0.56) MAOBKDM1AMAOAKDM1BKCNH2
Hydrochloric Acid SCHEMBL2560348 0.83 MAOB (0.56) MAOBKDM1AMAOAKDM1BKCNH2
SCHEMBL1525079 0.83 KDM1A (0.62) MAOBKDM1AMAOAKDM1BRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233178-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS, S.A. (ES) 2019-03-19 US disclosed
EP-3375775-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Genomics, S.A. (ES) 2018-09-19 EP disclosed
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS SA (ES) 2018-05-10 US disclosed
EP-2598482-B1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS SA (ES) 2018-04-04 EP disclosed
US-9708309-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS, S.A. (ES) 2017-07-18 US disclosed
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-20150376177-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2015-12-31 US disclosed
US-9181198-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS S.A. (ES) 2015-11-10 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
CN-104892525-A Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS SA 2015-09-09 CN disclosed
CN-103124724-B Arylcyclopropylamine-based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS SA 2015-05-20 CN disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20130231342-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Fenomics S.A. (ES) 2013-09-05 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
EP-2598482-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE Oryzon Genomics, S.A. (ES) 2013-06-05 EP disclosed
CN-103124724-A Arylcyclopropylamine-based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS SA 2013-05-29 CN disclosed
US-8389580-B2 Arylcyclopropylamines and methods of use DUKE UNIVERSITY (US) 2013-03-05 US disclosed
WO-2012013728-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE DUKE UNIVERSITY 2010-12-23 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 (8 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-10233178-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use KDM6A, KDM1B, KDM1A MAOB 66/4885MAOA 52/4885GAA 619/4885
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE KDM6A, KDM1B, KDM1A MAOB 66/4885MAOA 52/4885GAA 619/4885
US-20130231342-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE KDM6A, KDM1B, KDM1A MAOB 66/4885MAOA 52/4885GAA 619/4885
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS BRCA1, NAT1, AADAC MAOB 174/4885MAOA 363/4885GAA 2790/4885
US-20150376177-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE KDM6A, KDM1B, KDM1A MAOB 66/4885MAOA 52/4885GAA 619/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT MAOB 34/4885MAOA 39/4885GAA 130/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT MAOB 34/4885MAOA 39/4885GAA 130/4885
US-20100324147-A1 ARYLCYCLOPROPYLAMINES AND METHODS OF USE MAOA, MAOB, PNMT MAOB 2/4885MAOA 1/4885GAA 476/4885

“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.