SCHEMBL2908865

SCHEMBL2908865

CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(Cl)cc4Cl)ccc3C2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.50
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
EPHX2 P34913 7/20 0.42
DDR1 Q08345 1/20 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
SCHEMBL2906483 0.93 LMNA (0.46) SCN9AHDAC8LMNAMAPK1NLRP1
SCHEMBL2908634 0.91 EPHX2 (0.52) SCN9AHDAC8LMNAMAPK1NLRP1
SCHEMBL13218685 0.90 SCN9A (0.48) SCN9AHDAC8LMNAMAPK1NLRP1
SCHEMBL2907081 0.88 EPHX2 (0.53) LMNAMAPK1NLRP1EPHX2DDR1
Trifluoroacetic Acid SCHEMBL3035769 0.86 SCN9A (0.45) SCN9AHDAC8LMNAMAPK1NLRP1
SCHEMBL3034301 0.85 EPHX2 (0.53) HDAC8LMNAMAPK1NLRP1EPHX2
SCHEMBL2908128 0.84 EPHX2 (0.58) LMNAMAPK1NLRP1EPHX2DDR1
SCHEMBL2903421 0.84 EPHX2 (0.52) SCN9AEPHX2DDR1
SCHEMBL3039797 0.83 EPHX2 (0.62) SCN9AEPHX2
SCHEMBL2908742 0.82 EPHX2 (0.44) HDAC8LMNAMAPK1NLRP1EPHX2

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 SCN9A 1939/4885HDAC8 3108/4885LMNA 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.