SCHEMBL2901467

SCHEMBL2901467

CNc1nc(N2CCN(C)CC2)nc(N2CCc3cc(C(=O)NCc4ccc(C(=O)O)cc4)ccc3C2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.53
ADAMTS4 O75173 8/20 0.53
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
SCN9A Q15858 2/20 0.41

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
SCHEMBL2901321 0.91 EPHX2 (0.58) EPHX2ADAMTS4KMT2ACYP3A4CYP2D6
SCHEMBL13239535 0.84 EPHX2 (0.60) EPHX2ADAMTS4CYP3A4CYP2D6CYP2C9
SCHEMBL2908634 0.83 EPHX2 (0.52) EPHX2ADAMTS4CYP3A4CYP2D6CYP2C9
SCHEMBL2903421 0.83 EPHX2 (0.52) EPHX2ADAMTS4CYP3A4CYP2D6CYP2C9
SCHEMBL2907169 0.82 EPHX2 (0.75) EPHX2ADAMTS4CYP3A4CYP2D6CYP2C9
SCHEMBL13239274 0.81 EPHX2 (0.52) EPHX2ADAMTS4CYP3A4CYP2D6CYP2C9
SCHEMBL3018437 0.81 EPHX2 (0.47) EPHX2ADAMTS4KMT2ACYP3A4CYP2D6
SCHEMBL3029062 0.81 EPHX2 (0.59) EPHX2ADAMTS4CYP3A4CYP2D6CYP2C9
SCHEMBL2903561 0.81 EPHX2 (0.61) EPHX2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2907107 0.77 EPHX2 (0.75) EPHX2KMT2ACYP3A4CYP2D6CYP2C9

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-20100210655-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US claimed
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 EP claimed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO 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
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO 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 5/4885ADAMTS4 2387/4885KMT2A 777/4885

“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.