SCHEMBL363534

SCHEMBL363534

CCCOc1ccc(Cl)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
KDM4E B2RXH2 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 2/20 0.66
HTT P42858 2/20 0.66
USP2 O75604 1/20 0.66
TP53 P04637 1/20 0.66
POLB P06746 1/20 0.66
GAA P10253 1/20 0.66
CASP1 P29466 1/20 0.66
CASP7 P55210 1/20 0.66
ATM Q13315 1/20 0.66
CSNK2A1 P68400 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 4/20 0.49

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
SCHEMBL3787403 0.91 MAPT (0.58) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL3784669 0.85 MAPT (0.51) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL3794233 0.85 MAPT (0.68) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL360551 0.84 HTR2C (0.52) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL29684402 0.84 HTR2C (0.52) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL3781671 0.82 MAPT (0.54) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL359320 0.82 HTT (0.51) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL14194196 0.81 MAPT (0.49) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL12505493 0.81 MAPT (0.49) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL394963 0.81 MAPT (0.96) MAPTKDM4EKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof INSTITUTE OF MICROBIOLOGY AND EPIDEMIOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES, PR CHINA (CN) 2018-07-31 US disclosed
US-20160083347-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF INSTITUTE OF MICROBIOLOGY AND EPIDEMIOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES, PR CHINA (CN) 2016-03-24 US disclosed
CN-103265478-B Mercaptonicotinic acid compounds and preparation method thereof THE SECOND MILITARY MEDICAL UNIVERSITY (CN) 2015-09-30 CN disclosed
CN-103265478-A Mercaptonicotinic acid compounds and preparation method thereof UNIV PLA 2ND MILITARY MEDICAL 2013-08-28 CN disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0362729-A1 Process for producing water insoluble azo dyes on the fibre HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 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-20160083347-A1 MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF PREP, ENGASE, ADAMTS13 MAPT 1407/4885KDM4E 2138/4885KMT2A 3401/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885KDM4E 2606/4885KMT2A 1474/4885
US-10035771-B2 Mercaptonicotinic acid compound and preparation method and use thereof PREP, ENGASE, ADAMTS13 MAPT 1407/4885KDM4E 2138/4885KMT2A 3401/4885

“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.