Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5547769

CCN(CC)c1ccc2c(c1)OC1=CC(N(CC)CC)C=CC1=C2c1ccccc1C(=O)OCCCBr.Cl

nearest known ligand 0.36

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 19)

geneUniProtsupporting neighboursconfidence
▸ SCN1A known ✓ P35498 2/20 0.36
▸ SCN2A known ✓ Q99250 2/20 0.36
▸ SCN3A known ✓ Q9NY46 2/20 0.36
▸ APLNR P35414 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 3/20 0.30
▸ MAPT P10636 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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 SCHEMBL5539689 0.94 TSHR (0.38) SCN1ASCN2ASCN3AAPLNRKDM4E
SCHEMBL12093970 0.91 ALDH1A1 (0.36) SCN1ASCN2ASCN3AAPLNRKDM4E
SCHEMBL11957692 0.90 MAOB (0.38) SCN1ASCN2ASCN3AAPLNRKDM4E
SCHEMBL16489114 0.87 CA12 (0.36) APLNRTP53MAPTTSHRL3MBTL1
SCHEMBL18888028 0.87 SCN1A (0.31) SCN1ASCN2ASCN3AAPLNR
SCHEMBL30887124 0.87 SCN1A (0.31) SCN1ASCN2ASCN3AAPLNR
SCHEMBL30887127 0.87 SCN1A (0.31) SCN1ASCN2ASCN3AAPLNR
SCHEMBL3267635 0.84 MEN1 (0.41) APLNRKDM4ETP53MAPTTDP1
SCHEMBL12118354 0.84 MAPT (0.35) APLNRTP53MAPTL3MBTL1NPC1
SCHEMBL18760512 0.79 RAB9A (0.36) APLNRTP53MAPTL3MBTL1NPC1

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
US-20070098732-A1 Immunologic compounds for prevention, protection, prophylaxis or treatment of immunological disorders, infections and cancer UNIVERSITE DE MONTREAL 2007-05-03 — — US claimed
EP-1701740-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER UNIVERSITE DE MONTREAL (CA) 2006-09-20 — — EP claimed
WO-2005053743-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER Université de Montréal (CA) 2005-06-16 — — WO claimed
US-20120136338-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER UNIVERSITE DE MONTREAL (CA) 2012-05-31 — — US disclosed
US-20070098732-A1 Immunologic compounds for prevention, protection, prophylaxis or treatment of immunological disorders, infections and cancer UNIVERSITE DE MONTREAL 2007-05-03 — — US disclosed
EP-1701740-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER UNIVERSITE DE MONTREAL (CA) 2006-09-20 — — EP disclosed
WO-2005053743-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER Université de Montréal (CA) 2005-06-16 — — 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 (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-20070098732-A1 Immunologic compounds for prevention, protection, prophylaxis or treatment of immunological disorders, infections and cancer CD47, CD14, CD74 SCN1A 4466/4885SCN2A 4691/4885SCN3A 3606/4885
US-20120136338-A1 IMMUNOLOGIC COMPOUNDS FOR PREVENTION, PROTECTION, PROPHYLAXIS OR TREATMENT OF IMMUNOLOGICAL DISORDERS, INFECTIONS AND CANCER HLA-DRB1, CD74, HLA-C SCN1A 4856/4885SCN2A 4879/4885SCN3A 4580/4885

“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.

Send feedback