SCHEMBL2901231

SCHEMBL2901231

O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)CCCN2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.53
PPARG P37231 7/20 0.51
ROCK2 O75116 2/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
ROCK1 Q13464 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
SCHEMBL2927034 0.94 EPHX2 (0.55) EPHX2PPARGROCK2ROCK1
SCHEMBL13218656 0.85 ROCK2 (0.53) EPHX2PPARGROCK2KDM4EMAPT
SCHEMBL6981710 0.81 KDM4E (0.60) ROCK2KDM4EMAPTROCK1
SCHEMBL3470919 0.80 EPHX2 (0.54) EPHX2PPARGROCK2ROCK1
SCHEMBL3470247 0.79 EPHX2 (0.58) EPHX2PPARGROCK2ROCK1
SCHEMBL3029239 0.78 ROCK2 (0.54) EPHX2PPARGROCK2MAPTROCK1
SCHEMBL27370813 0.77 KDM4E (0.54) ROCK2KDM4EMAPT
SCHEMBL3026165 0.76 EPHX2 (0.54) EPHX2ROCK2KDM4EMAPTROCK1
SCHEMBL1787178 0.74 EPHX2 (0.52) EPHX2PPARGROCK2
SCHEMBL1791513 0.73 EPHX2 (0.53) EPHX2PPARGROCK2KDM4EROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 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 (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-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE EPHX1, NCEH1, FAH EPHX2 5/4885PPARG 4031/4885ROCK2 396/4885

“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.