SCHEMBL231835

SCHEMBL231835

[CH]1C=Cc2ccccc2OO1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL2965295 0.76 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL121645 0.76 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16179 0.76 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8071921 0.74 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL20526419 0.74 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL11520833 0.74 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
Cyclohexane SCHEMBL23674788 0.71 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3556 0.70
SCHEMBL630371 0.68
SCHEMBL448708 0.65 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A

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 KDM4E 3171/4885MEN1 4670/4885ALDH1A1 4641/4885
US-20100113446-A1 HYDANTOIN COMPOUNDS HNMT, HLA-DRB1, SSB KDM4E 1585/4885MEN1 699/4885ALDH1A1 496/4885

“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.