SCHEMBL3025646

SCHEMBL3025646

CNc1nc(-c2ccccc2)nc(N2CCc3cc(C(=O)NCc4ccccc4OC(F)(F)F)ccc3C2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.51
CYP2C9 P11712 2/20 0.48
SCN9A Q15858 6/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL2906841 0.94 EPHX2 (0.52) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL3019499 0.92 EPHX2 (0.62) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL3029062 0.91 EPHX2 (0.59) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL3032935 0.90 ROCK2 (0.44) EPHX2SCN9AROCK2ROCK1MAPT
SCHEMBL2901208 0.88 EPHX2 (0.58) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL3036291 0.88 EPHX2 (0.62) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL3034324 0.85 EPHX2 (0.65) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL13218638 0.85 EPHX2 (0.59) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
SCHEMBL2906932 0.85 EPHX2 (0.63) EPHX2CYP2C9SCN9ACYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL2906799 0.84 EPHX2 (0.57) EPHX2CYP2C9SCN9ACYP3A4CYP2D6

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 5 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
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 5/4885CYP2C9 157/4885SCN9A 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.