SCHEMBL2929894

SCHEMBL2929894

CNc1cc(N2Cc3ccc(C(=O)NCc4ccccc4C(F)(F)F)cc3C2)nc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 2/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 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
SCHEMBL2952967 0.90 EPHX2 (0.64) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2922679 0.88 ROCK2 (0.46) EPHX2PPARGROCK2ROCK1
SCHEMBL2908998 0.86 EPHX2 (0.64) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3470338 0.85 EPHX2 (0.59) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3469886 0.83 HDAC8 (0.43) EPHX2ROCK2ROCK1
SCHEMBL3036291 0.82 EPHX2 (0.62) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3470922 0.80 EPHX2 (0.49) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL3474823 0.80 EPHX2 (0.79) EPHX2CYP2C9
SCHEMBL2904563 0.79 EPHX2 (0.62) EPHX2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL2954996 0.78 EPHX2 (0.49) EPHX2CYP2C9PPARGROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US claimed
EP-2224928-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-09-08 EP claimed
WO-2009073772-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO claimed
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
US-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-10-14 US disclosed
EP-2224928-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-09-08 EP disclosed
WO-2009073772-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009073772-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20100261743-A1 NOVEL SEH INHIBITORS AND THEIR USE EPHX1, REN, NCEH1 EPHX2 9/4885CYP2C9 217/4885CYP3A4 247/4885

“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.