SCHEMBL2908856

SCHEMBL2908856

CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccccc4OC(F)(F)F)ccc32)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.62
MAPT P10636 1/20 0.49
SCN9A Q15858 1/20 0.47
CYP2C9 P11712 2/20 0.46
ROCK2 O75116 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ROCK1 Q13464 1/20 0.45
PPARG P37231 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL3034638 0.96 EPHX2 (0.65) EPHX2MAPTSCN9ACYP2C9ROCK2
SCHEMBL2901208 0.92 EPHX2 (0.58) EPHX2MAPTSCN9ACYP2C9ROCK2
SCHEMBL13218649 0.91 EPHX2 (0.72) EPHX2MAPTSCN9ACYP2C9ROCK2
SCHEMBL2904050 0.91 EPHX2 (0.51) EPHX2MAPTSCN9AROCK2ROCK1
SCHEMBL3038504 0.90 EPHX2 (0.50) EPHX2MAPTSCN9AROCK2ROCK1
SCHEMBL3019499 0.89 EPHX2 (0.62) EPHX2SCN9ACYP2C9ROCK2CYP3A4
Trifluoroacetic Acid SCHEMBL2908383 0.89 EPHX2 (0.68) EPHX2MAPTSCN9ACYP2C9ROCK2
SCHEMBL2903763 0.88 EPHX2 (0.76) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3034324 0.88 EPHX2 (0.65) EPHX2MAPTSCN9ACYP2C9ROCK2
SCHEMBL3470030 0.87 EPHX2 (0.49) EPHX2MAPTCYP2C9ROCK2ROCK1

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 7 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 claimed
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
US-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
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
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 5/4885MAPT 3505/4885SCN9A 1939/4885

“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.