SCHEMBL231836

SCHEMBL231836

[C]1=CCc2ccccc2OO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3078 0.77 MAOA (0.41) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL5065 0.71 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL141166 0.68 MAOA (0.37) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL1162929 0.68 MAOA (0.37) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL654480 0.67 MAOA (0.35) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL7606738 0.66 MAOA (0.70) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL395820 0.65 MAOA (0.38) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL8366509 0.64 MAOA (0.33) MAOAMAOB
SCHEMBL3806650 0.64 MAOA (0.37) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL11443838 0.64 MAOA (0.37) MAOAMAOBOXTRABCG2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762377-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF Cook, Timothy, H. (US) 2021-01-13 EP claimed
WO-2019173790-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF HLA TIMOTHY (US) 2019-09-12 WO claimed
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 US claimed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 US claimed
EP-2858501-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2015-04-15 EP claimed
WO-2013176970-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2013-11-28 WO claimed
EP-2336131-A1 Hydantoin compounds Eisai R&D Management Co., Ltd. (JP) 2011-06-22 EP claimed
US-20100113446-A1 HYDANTOIN COMPOUNDS GALLAGHER JR BRIAN M 2010-05-06 US claimed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO claimed
US-7666875-B2 1,3,8-triazaspiro(4,5)decane derivatives; antiinflammatory agent for treating rheumatoid arthritis, allergic, multiple sclerosis, autoimmune disease such as inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US claimed
WO-2004043369-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
EP-1399137-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-03-24 EP claimed
EP-1387679-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-11 EP claimed
EP-1385830-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
EP-1385841-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
WO-2002090353-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
WO-2002089793-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
WO-2002090337-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
WO-2002089785-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 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 (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-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof NGF, NGFR, NTRK1 MAOA 1673/4885MAOB 994/4885OXTR 2452/4885
US-20100113446-A1 HYDANTOIN COMPOUNDS HNMT, HLA-DRB1, SSB MAOA 1412/4885MAOB 1456/4885OXTR 4319/4885

“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.