SCHEMBL4080571

SCHEMBL4080571

COc1ccnc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE2A O00408 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
NMT1 P30419 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL31278202 1.00 MAOA (0.42) MAOAALDH1A1RXFP1PDE2APDE4A
Hydrochloric Acid SCHEMBL27652560 0.98 MAOA (0.46) MAOAALDH1A1RXFP1PDE2APDE4A
SCHEMBL31147147 0.98 MAOA (0.41) MAOAALDH1A1RXFP1PDE2APDE4A
SCHEMBL3979208 0.79 MAOA (0.50) MAOAALDH1A1PDE2APDE4APDE4B
SCHEMBL4074890 0.79 ALDH1A1 (0.44) ALDH1A1CCR1CCR5CCR8DRD1
SCHEMBL16727177 0.77 HPGD (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL24344928 0.77 MAOA (0.40) MAOAALDH1A1PDE2APDE4APDE4B
SCHEMBL16628108 0.77 MAOA (0.40) MAOAALDH1A1PDE2APDE4APDE4B
SCHEMBL14353296 0.77 IKBKB (0.41) MAOAALDH1A1PDE2APDE4APDE4B
SCHEMBL23624007 0.77 HASPIN (0.46) MAOAALDH1A1PDE2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534657-B Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-10-15 CN claimed
CN-117534657-A Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-02-09 CN claimed
CN-104557864-A Novel esomeprazole compound entity as well as preparation method and combined pharmaceutical preparation thereof ZHEJIANG CHANGDIAN PHARMACEUTICAL CO LTD 2015-04-29 CN claimed
CN-104127387-A Special ultrafine omeprazole sodium powder freeze-dried preparation and preparation method thereof HANGZHOU CHANGDIAN MEDICAL TECHNOLOGY CO LTD 2014-11-05 CN claimed
CN-103694223-A Method for preparing esomeprazole by one-pot method HENAN NEW SHUAIKE PHARMACEUTICAL CO LTD 2014-04-02 CN claimed
CN-101318928-B Process for the separation of 2-hydroxymethyl-3, 5-dimethyl-4-methoxy pyridine ZHEJIANG HUAYI PHARMACEUTICAL CO LTD 2011-01-19 CN claimed
CN-101318928-A Process for the separation of 2-hydroxymethyl-3, 5-dimethyl-4-methoxy pyridine ZHEJIANG HUAYI PHARMACEUTICAL (CN) 2008-12-10 CN claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
CN-117534657-B Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-10-15 CN disclosed
CN-117534657-B Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-10-15 CN disclosed
CN-117534657-A Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-02-09 CN disclosed
CN-117534657-A Synthetic method and application of rabeprazole analogue 湖北省医药工业研究院有限公司 2024-02-09 CN disclosed
WO-2005110989-A1 SUBSTITUTED 1-HETEROARYL-4-SUBSTITUTED PIPERAZINE AND PIPERIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
CN-1214027-C Method for obtaining derivatives of [[(pyridil substituted) methyl] thio] benzimidazol ESTEVE QUIMICA SA (ES) 2005-08-10 CN disclosed
CN-1427836-A Method for obtaining derivatives of [[(pyridil substituted) methyl] thio] benzimidazol ESTEVE QUIMICA SA (ES) 2003-07-02 CN disclosed
US-6437139-B1 OMEPRAZOLE, LANSOPRAZOLE AND PANTOPRAZOLE INTERMEDIATES; FREE RADICAL REACTION WITH ETHYL PYRUVATE TO FUNCTIONALIZE THE 2-POSITION PDI-RESEARCH LABORATORIES, INC. (CA) 2002-08-20 US disclosed
WO-1999033807-A2 SYNTHESIS OF PHARMACEUTICALLY USEFUL PYRIDINE DERIVATIVES (INTERMEDIATES) EMPLOYING FREE RADICAL SUBSTITUTION REACTIONS TO FUNCTIONALIZE THE 2-POSITION OF THE PYRIDINE PDI-RESEARCH LABORATORIES, INC. (CA) 1999-07-08 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 MAOA 3129/4885ALDH1A1 2159/4885RXFP1 4851/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A MAOA 4774/4885ALDH1A1 3523/4885RXFP1 1624/4885

“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.