Hydrochloric Acid

Hydrochloric Acid

SCHEMBL826646

Cl.Cl.NCCCCCC(=O)Nc1cccnc1

nearest known ligand 0.75

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
HDAC3 known ✓ O15379 2/20 0.74
HDAC4 known ✓ P56524 2/20 0.74
HDAC1 known ✓ Q13547 2/20 0.74
HDAC7 known ✓ Q8WUI4 2/20 0.74
HDAC2 known ✓ Q92769 2/20 0.74
HDAC10 known ✓ Q969S8 2/20 0.74
HDAC11 known ✓ Q96DB2 2/20 0.74
HDAC8 known ✓ Q9BY41 2/20 0.74
HDAC6 known ✓ Q9UBN7 2/20 0.74
HDAC9 known ✓ Q9UKV0 2/20 0.74
HDAC5 known ✓ Q9UQL6 2/20 0.74
FLT4 known ✓ P35916 1/20 0.54
GAA known ✓ P10253 1/20 0.52
POLB P06746 2/20 0.72
LMNA P02545 1/20 0.72
CYP3A4 P08684 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 1/20 0.56
FAAH O00519 1/20 0.55
CDK2 P24941 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
SCHEMBL823590 0.99 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25154931 0.93 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15480449 0.91 HDAC3 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8277953 0.88 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3913781 0.88 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28253513 0.87 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
Iodide SCHEMBL3088158 0.86 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
Pyroxamide SCHEMBL30184775 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Pyroxamide SCHEMBL154681 0.85 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13477810 0.85 LMNA (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200439-B1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY INC (US) 2017-03-22 EP disclosed
US-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY LIXTE BIOTECHNOLOGY, INC. (US) 2016-01-14 US disclosed
EP-2964026-A1 HDAC INHIBITORS FOR TREATING TRAUMATIC BRAIN INJURY Lixte Biotechnology, Inc. (US) 2016-01-13 EP disclosed
WO-2014137741-A1 HDAC INHIBITORS FOR TREATING TRAUMATIC BRAIN INJURY LIXTE BIOTECHNOLOGY, INC. (US) 2014-09-12 WO disclosed
US-8455688-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2013-06-04 US disclosed
US-20120178783-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY, INC. 2012-07-12 US disclosed
US-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 US disclosed
EP-2200439-A1 HDAC INHIBITORS Lixte Biotechnology, Inc. (US) 2010-06-30 EP disclosed
US-20090143445-A1 HDAC Inhibitors JOHN P. WHITE, ESQ 2009-06-04 US disclosed
WO-2009045440-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY HOLDINGS, INC. (US) 2009-04-09 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 (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-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY HDAC5, HDAC1, HDAC4 HDAC3 5/4885HDAC4 3/4885HDAC1 2/4885
US-20120178783-A1 HDAC INHIBITORS HDAC3, HDAC4, HDAC7 HDAC3 1/4885HDAC4 2/4885HDAC1 5/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 HDAC3 1/4885HDAC4 3/4885HDAC1 6/4885

“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.