SCHEMBL3035313

SCHEMBL3035313

CNc1nc(-c2ccc(F)cc2F)nc(N2CCCc3cc(C(=O)NCc4ccc(Cl)cc4Cl)ccc32)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CYP3A4 P08684 1/20 0.38
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38

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
SCHEMBL3033802 0.93 EPHX2 (0.59) EPHX2HDAC1HDAC6ROCK2OPRM1
SCHEMBL3039558 0.87 EPHX2 (0.61) EPHX2HDAC1HDAC6ROCK2ROCK1
SCHEMBL3036133 0.87 EPHX2 (0.60) EPHX2OPRM1OPRD1OPRK1CYP3A4
SCHEMBL3028889 0.86 EPHX2 (0.59) EPHX2HDAC1HDAC6ROCK2OPRM1
SCHEMBL2908128 0.86 EPHX2 (0.58) EPHX2HDAC1HDAC6ROCK2OPRM1
SCHEMBL2903808 0.85 EPHX2 (0.57) EPHX2ROCK2ROCK1OPRM1OPRD1
SCHEMBL2906220 0.84 EPHX2 (0.72) EPHX2OPRM1OPRD1OPRK1CYP3A4
SCHEMBL2906992 0.83 EPHX2 (0.55) EPHX2ROCK2ROCK1OPRM1OPRD1
SCHEMBL2908406 0.82 EPHX2 (0.54) EPHX2CYP3A4LMNAMAPK1NLRP1
SCHEMBL2907081 0.82 EPHX2 (0.53) EPHX2ROCK2P2RX7LMNAMAPK1

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 5 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
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
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 5/4885HDAC1 641/4885HDAC6 2367/4885

“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.