SCHEMBL4808501

SCHEMBL4808501

C#CCOc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAOA P21397 4/20 0.47
GSTP1 P09211 1/20 0.43
DAO P14920 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5155724 0.90 MAOB (0.44) MAOBMAOADAO
SCHEMBL28399599 0.89 MAOB (0.57) MAOBMAOA
SCHEMBL13338101 0.86 MAOB (0.59) MAOBMAOAGSTP1CA12CA1
SCHEMBL28398922 0.85 MAOB (0.66) MAOBMAOA
SCHEMBL5252207 0.81 DAO (0.50) MAOBMAOADAO
SCHEMBL3256254 0.81 MAOB (0.44) MAOBMAOADAO
SCHEMBL28393172 0.80 MAOB (0.65) MAOBMAOA
SCHEMBL1477458 0.79 GSTP1 (0.44) MAOBMAOAGSTP1CA12CA1
SCHEMBL5415271 0.78 MAP4K4 (0.45) MAOBMAOA
SCHEMBL28560284 0.78 NPC1 (0.45) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
CN-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 CN disclosed
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 US disclosed
CN-109336829-A Aryl methanamide compounds of the triazole structure containing 1,2,3- and application thereof 沈阳药科大学 2019-02-15 CN disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-12-04 US disclosed
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-19 US disclosed
US-9873697-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2018-01-23 US disclosed
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 EP disclosed
US-8609653-B2 Azaindole compounds and methods for treating HIV GLAXOSMITHKLINE LLC (US) 2013-12-17 US disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
US-4867915-A LIPOXYGENASE INHIBITORS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-09-19 US 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 (6 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-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MAOB 588/4885MAOA 537/4885GSTP1 1721/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MAOB 1261/4885MAOA 1625/4885GSTP1 2277/4885
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT MAOB 334/4885MAOA 316/4885GSTP1 4136/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MAOB 588/4885MAOA 537/4885GSTP1 1721/4885
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors BTK, BCL9, LCK MAOB 1675/4885MAOA 3393/4885GSTP1 1728/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A MAOB 588/4885MAOA 537/4885GSTP1 1721/4885

“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.