SCHEMBL575041

SCHEMBL575041

CC(=O)c1ccc(C)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
KDM4E B2RXH2 2/20 0.50
KCNJ1 P48048 1/20 0.47
KMT2A Q03164 3/20 0.45
CCR9 P51686 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
NPC1 O15118 2/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL31290288 1.00 HDAC1 (0.62) HDAC1HDAC6KDM4EKCNJ1KMT2A
Hydrochloric Acid SCHEMBL2750908 0.98 HDAC1 (0.60) HDAC1HDAC6KDM4EKCNJ1KMT2A
Glyoxylate SCHEMBL28763022 0.90 HDAC1 (0.53) HDAC1HDAC6KDM4EKCNJ1KMT2A
SCHEMBL17750025 0.85 HDAC1 (0.56) HDAC1HDAC6KDM4EKMT2AMAPT
SCHEMBL4400941 0.84 HDAC1 (0.64) HDAC1HDAC6KDM4EKMT2ACCR9
SCHEMBL1138580 0.84 HSD17B1 (0.53) HDAC1HDAC6KDM4EMAPTLMNA
SCHEMBL30544993 0.82 HDAC1 (0.62) HDAC1HDAC6KDM4EMAPTALDH1A1
SCHEMBL181465 0.82 HDAC1 (0.62) HDAC1HDAC6KDM4EMAPTALDH1A1
SCHEMBL351856 0.80 NNMT (0.61) HDAC1HDAC6KDM4ELMNAL3MBTL1
SCHEMBL600144 0.80 HDAC1 (0.60) HDAC1HDAC6KDM4EKMT2AMAPT

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 524 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
CN-119375400-A Sample pretreatment method for detecting CD38 enzyme activity in whole blood sample and method for detecting blood CD38 enzyme activity by high performance liquid chromatography 北京医院 2025-01-28 CN claimed
CN-119019363-A Synthesis method of 6-methyl nicotine 东莞市鸿馥生物科技有限公司 2024-11-26 CN claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
CN-108456162-A Preparation process of 2-methyl-5-acetylpyridine 海门市新港医药科技有限公司 2018-08-28 CN claimed
CN-103145707-B The preparation method of hydrogenated pyridine [4,3-b] Benzazole compounds Institute of Toxicology and Drugs, Chinese Academy of Military Medical Sciences (CN) 2016-05-25 CN claimed
EP-2757095-B1 Very efficient process for preparing an intermediate of Etoricoxib ITALIANA SINT SPA (IT) 2015-03-18 EP claimed
US-20140206882-A1 VERY EFFICIENT PROCESS FOR PREPARING AN INTERMEDIATE OF ETORICOXIB F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2014-07-24 US claimed
EP-2757095-A1 Very efficient process for preparing an intermediate of Etoricoxib F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2014-07-23 EP claimed
US-8765962-B1 Very efficient process for preparing an intermediate of etoricoxib F.I.S.—Fabrica Italiana Sintetici S.p.A. (IT) 2014-07-01 US claimed
EP-2497767-A1 Improved process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2012-09-12 EP claimed
US-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A.CHINA (CN) 2012-05-17 US claimed
CN-102395369-A Sustained-release composition containing tetrahydropyridine [4,3-b ] indole derivative and preparation method of derivative INST PHARM & TOXICOLOGY AMMS 2012-03-28 CN claimed
EP-2417973-A1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO Ý4, 3-b¨INDOLE DERIVATIVE AND PREPARATION METHOD OF DERIVATIVE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2012-02-15 EP claimed
EP-0269407-B1 Insoluble complex oxidation catalysts REILLY IND INC (US) 1994-09-14 EP claimed
EP-0159769-B1 ELECTROCHEMICAL OXIDATION OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1991-03-27 EP claimed
EP-0269407-A1 Insoluble complex oxidation catalysts REILLY INDUSTRIES, INC. (US) 1988-06-01 EP claimed
EP-0159769-A1 Electrochemical oxidation of pyridine bases REILLY INDUSTRIES, INC. (US) 1985-10-30 EP claimed
US-4482439-A Electrochemical oxidation of pyridine bases REILLY TAR & CHEMICAL CORP. (US) 1984-11-13 US claimed
US-4374051-A ISOPROPENYL- OR ACETYL SUBSTITUTED PYRIDINE DERIVATIVES; REGENERATION OF ESSENTIAL OILS; FLAVORS FIRMENICH SA (CH) 1983-02-15 US claimed

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-20140206882-A1 VERY EFFICIENT PROCESS FOR PREPARING AN INTERMEDIATE OF ETORICOXIB PTGES, PTGES2, PTGS1 HDAC1 4507/4885HDAC6 4307/4885KDM4E 257/4885
US-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives HTT, HTR5A, HTR3B HDAC1 1435/4885HDAC6 1697/4885KDM4E 895/4885

“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.