SCHEMBL2678472

SCHEMBL2678472

CNc1nc(C)nc(N(C)C2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
P2RX7 Q99572 7/20 0.46
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL2678466 1.00 EPHX2 (0.47) EPHX2GAAHTTP2RX7CYP2C9
SCHEMBL2678190 0.90 EPHX2 (0.56) EPHX2CYP2C9CYP3A4CYP2D6
SCHEMBL2678193 0.90 EPHX2 (0.56) EPHX2CYP2C9CYP3A4CYP2D6
SCHEMBL2678302 0.87 EPHX2 (0.49) EPHX2GAAHTTP2RX7CYP2C9
SCHEMBL2678296 0.87 EPHX2 (0.49) EPHX2GAAHTTP2RX7CYP2C9
SCHEMBL2241438 0.85 EPHX2 (0.54) EPHX2GAAHTTP2RX7CYP2C9
SCHEMBL2241434 0.85 EPHX2 (0.54) EPHX2GAAHTTP2RX7CYP2C9
SCHEMBL2677015 0.83 EPHX2 (0.52) EPHX2GAAHTTP2RX7CYP2C9
SCHEMBL2678425 0.83 EPHX2 (0.52) EPHX2GAAHTTP2RX7CYP2C9
SCHEMBL2677018 0.83 EPHX2 (0.52) EPHX2GAAHTTP2RX7CYP2C9

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-8173805-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2012-05-08 US claimed
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US claimed
EP-2214487-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-11 EP claimed
WO-2009049157-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO claimed
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-20100210656-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 (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 8/4885GAA 1067/4885HTT 3854/4885
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE NCEH1, EPHX1, FAH EPHX2 4/4885GAA 453/4885HTT 3413/4885

“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.