SCHEMBL13239013

SCHEMBL13239013

CNc1nc(-c2ccccc2)nc(N2Cc3ccc(C(=O)NCc4ccccc4O)cc3C2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.49
CYP2C9 P11712 4/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL2908998 0.89 EPHX2 (0.64) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2906841 0.86 EPHX2 (0.52) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2908742 0.86 EPHX2 (0.44) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13239535 0.82 EPHX2 (0.60) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3036291 0.82 EPHX2 (0.62) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3025646 0.80 EPHX2 (0.51) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13218685 0.80 SCN9A (0.48) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2904563 0.79 EPHX2 (0.62) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL13218640 0.77 EPHX2 (0.76) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL3035769 0.77 SCN9A (0.45) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19

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 1 patent. 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

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 157/4885CYP3A4 158/4885

“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.