SCHEMBL5040096

SCHEMBL5040096

CNc1nc(C)nc(N[C@@H]2CCC[C@H](C(=O)NCc3ccc(Br)cc3Cl)C2)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.63
CYP2C9 P11712 3/20 0.40
P2RX7 Q99572 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2677928 1.00 EPHX2 (0.63) EPHX2CYP2C9P2RX7CYP3A4CYP2D6
SCHEMBL2678126 0.91 EPHX2 (0.65) EPHX2P2RX7
SCHEMBL2678124 0.91 EPHX2 (0.65) EPHX2P2RX7
SCHEMBL2678127 0.91 EPHX2 (0.65) EPHX2P2RX7
SCHEMBL2678422 0.88 EPHX2 (0.79) EPHX2CYP2C9P2RX7CYP3A4CYP2D6
SCHEMBL2678420 0.88 EPHX2 (0.79) EPHX2CYP2C9P2RX7CYP3A4CYP2D6
SCHEMBL2678417 0.88 EPHX2 (0.79) EPHX2CYP2C9P2RX7CYP3A4CYP2D6
SCHEMBL2677226 0.88 EPHX2 (0.62) EPHX2CYP2C9P2RX7CYP3A4CYP2D6
SCHEMBL2677233 0.88 EPHX2 (0.62) EPHX2CYP2C9P2RX7CYP3A4CYP2D6
SCHEMBL2677221 0.88 EPHX2 (0.62) EPHX2CYP2C9P2RX7CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212032-B2 sEH inhibitors and their use GLAXOSMITHKLINE LLC. (US) 2012-07-03 US disclosed
US-8212032-B2 sEH inhibitors and their use GLAXOSMITHKLINE LLC. (US) 2012-07-03 US disclosed
US-8173805-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2012-05-08 US disclosed
US-20100249137-A1 Novel sEH Inhibitors and Their Use GlaxoSmithKline, LLC 2010-09-30 US disclosed
US-20100249137-A1 Novel sEH Inhibitors and Their Use GlaxoSmithKline, LLC 2010-09-30 US disclosed
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
WO-2009049157-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 (2 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-20100249137-A1 Novel sEH Inhibitors and Their Use NCEH1, CTH, EPHX1 EPHX2 8/4885CYP2C9 377/4885P2RX7 3827/4885
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE NCEH1, EPHX1, FAH EPHX2 4/4885CYP2C9 140/4885P2RX7 3031/4885

“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.