SCHEMBL64763

SCHEMBL64763

COC(=O)c1ccc(C)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
KDM4E B2RXH2 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL30574349 1.00 MAPK1 (0.67) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL7528438 0.93 MAPK1 (0.59) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL27625609 0.91 MAPK1 (0.57) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL7528433 0.88 KDM4E (0.58) MAPK1KDM4EL3MBTL1HDAC1HDAC6
Ethyl Acetate SCHEMBL575043 0.87 MAPK1 (0.53) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL7443540 0.87 MAPK1 (0.53) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL13320210 0.87 MAPK1 (0.61) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL989845 0.84 GRM5 (0.62) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL27892719 0.82 HDAC1 (0.55) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL28243051 0.82 HDAC1 (0.55) MAPK1KDM4EL3MBTL1HDAC1HDAC6

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 1520 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079874-A Method and device for synthesizing etoricoxib key intermediate MMPE through continuous flow 2026-05-26 CN claimed
CN-119285609-A Preparation method of chiral 6-methyl nicotine 恒信永基科技(深圳)有限公司 2025-01-10 CN claimed
CN-118853791-A Method for preparing (S) -6-methyl nicotine by reduction mode 重庆博腾制药科技股份有限公司 2024-10-29 CN claimed
CN-118852102-A Method for synthesizing high optical purity (S) -6-methyl nicotine 重庆博腾制药科技股份有限公司 2024-10-29 CN claimed
CN-115611857-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2024-05-31 CN claimed
CN-115894143-B Palladium catalyzed double ligand unguided preparation method for deuterated aromatic compound 宁波萃英化学技术有限公司 2024-05-28 CN claimed
CN-117658893-A Method for carrying out cis-trans selective hydrogenation on 2, 5-substituted pyridine derivative by utilizing micro-packed bed 南京药石科技股份有限公司 2024-03-08 CN claimed
CN-113603684-B 1,2, 4-oxadiazole Nrf2 activator-tac Lin Pinge product and preparation method and application thereof 中国药科大学 2023-12-19 CN claimed
CN-114195759-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海零诺生物科技有限公司 2023-10-20 CN claimed
CN-114437031-B Synthesis method of 6-methyl nicotine 深圳市真味生物科技有限公司 2023-06-27 CN 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
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-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP claimed
CN-101857567-A Preparation method of high-purity 2,5-dipicolinic acid ZHEJIANG DINGLONG CHEMICALS CO LTD 2010-10-13 CN claimed
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
EP-1108711-B1 A method for producing a heterocyclic nitrile KOEI CHEMICAL CO (JP) 2003-09-10 EP claimed
WO-2001029003-A1 PROCESS FOR THE PREPARATION OF 1-(6-METHYLPYRIDIN-3-YL)-2-(4-METHYLTHIOPHENYL)-ETHANONE AND ITS USE IN THE SYNTHESIS OF DIARYLPYRIDINES ZAMBON GROUP S.P.A. (IT) 2001-04-26 WO claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO 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 (1 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-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives HTT, HTR5A, HTR3B MAPK1 3494/4885KDM4E 895/4885L3MBTL1 3773/4885

“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.