SCHEMBL3038504

SCHEMBL3038504

Cc1nc(Cl)nc(N2CCc3cc(C(=O)NCc4ccccc4OC(F)(F)F)ccc32)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
MAPT P10636 1/20 0.49
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
PPARG P37231 2/20 0.44
ALOX5 P09917 1/20 0.43
HSD17B13 Q7Z5P4 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
SCN9A Q15858 1/20 0.42
DDR1 Q08345 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
SCHEMBL2904050 0.91 EPHX2 (0.51) EPHX2MAPTROCK2ROCK1PPARG
SCHEMBL2908856 0.90 EPHX2 (0.62) EPHX2MAPTROCK2ROCK1PPARG
SCHEMBL3471681 0.87 MAPT (0.49) EPHX2MAPTROCK2ROCK1PPARG
SCHEMBL3034638 0.87 EPHX2 (0.65) EPHX2MAPTROCK2ROCK1PPARG
SCHEMBL2901208 0.84 EPHX2 (0.58) EPHX2MAPTROCK2ROCK1PPARG
SCHEMBL3470030 0.84 EPHX2 (0.49) EPHX2MAPTROCK2ROCK1PPARG
SCHEMBL13218649 0.83 EPHX2 (0.72) EPHX2MAPTROCK2ROCK1SCN9A
Trifluoroacetic Acid SCHEMBL2908383 0.81 EPHX2 (0.68) EPHX2MAPTROCK2PPARGSCN9A
SCHEMBL3034324 0.80 EPHX2 (0.65) EPHX2MAPTROCK2ROCK1PPARG
SCHEMBL3019499 0.79 EPHX2 (0.62) EPHX2ROCK2SCN9A

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 4 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
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
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 3505/4885ROCK2 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.