SCHEMBL3033802

SCHEMBL3033802

CNc1nc(-c2ccccc2F)nc(N2CCCc3cc(C(=O)NCc4ccc(Cl)cc4Cl)ccc32)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.59
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
RORC P51449 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
CXCR3 P49682 1/20 0.38
ROCK2 O75116 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
SCHEMBL3035313 0.93 EPHX2 (0.56) EPHX2HDAC1HDAC6OPRM1OPRD1
SCHEMBL3036133 0.89 EPHX2 (0.60) EPHX2OPRM1OPRD1OPRK1CYP3A4
SCHEMBL3039558 0.89 EPHX2 (0.61) EPHX2HDAC1HDAC6OPRM1OPRD1
SCHEMBL3028889 0.88 EPHX2 (0.59) EPHX2HDAC1HDAC6OPRM1OPRD1
SCHEMBL2908128 0.87 EPHX2 (0.58) EPHX2HDAC1HDAC6OPRM1OPRD1
SCHEMBL2903808 0.87 EPHX2 (0.57) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL2906220 0.86 EPHX2 (0.72) EPHX2OPRM1OPRD1OPRK1CYP3A4
SCHEMBL2908406 0.85 EPHX2 (0.54) EPHX2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2906992 0.85 EPHX2 (0.55) EPHX2OPRM1OPRD1OPRK1LMNA
SCHEMBL2907081 0.83 EPHX2 (0.53) EPHX2LMNAMAPK1NLRP1ROCK2

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.