SCHEMBL2906200

SCHEMBL2906200

Cc1nc(N)nc(N2Cc3ccc(C(=O)NCc4ccc(N(C)C)cc4Cl)cc3C2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.47
NR1H4 Q96RI1 9/20 0.47
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.37
HDAC1 Q13547 1/20 0.36
PPARG P37231 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
NLRP1 Q9C000 1/20 0.36

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
SCHEMBL2908413 0.81 DDR1 (0.46) EPHX2PPARG
SCHEMBL2906483 0.78 LMNA (0.46) EPHX2LMNAHDAC8MAPK1NLRP1
SCHEMBL2901573 0.76 EPHX2 (0.51) EPHX2PPARG
SCHEMBL3032631 0.76 EPHX2 (0.54) EPHX2
SCHEMBL2904023 0.74 EPHX2 (0.43) EPHX2NR1H4
SCHEMBL2908515 0.73 ADORA2A (0.45) KDM4EHDAC1
SCHEMBL2908865 0.72 SCN9A (0.50) EPHX2LMNAHDAC8MAPK1NLRP1
SCHEMBL3471137 0.71 LMNA (0.46) EPHX2LMNAHDAC8MAPK1NLRP1
SCHEMBL3034301 0.70 EPHX2 (0.53) EPHX2LMNAHDAC8MAPK1NLRP1
SCHEMBL2908742 0.69 EPHX2 (0.44) EPHX2LMNAHDAC8MAPK1NLRP1

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 5/4885NR1H4 27/4885LMNA 2691/4885

“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.