SCHEMBL13218656

SCHEMBL13218656

O=C(NCc1ccccc1OC(F)(F)F)c1ccc2c(c1)CCCN2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 1/20 0.51
EPHX2 P34913 7/20 0.48
PPARG P37231 2/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
HSD17B13 Q7Z5P4 2/20 0.45
ALOX5 P09917 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2J2 P51589 1/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3029239 0.94 ROCK2 (0.54) ROCK2ROCK1EPHX2PPARGMAPT
SCHEMBL2901231 0.85 EPHX2 (0.53) ROCK2ROCK1EPHX2PPARGMAPT
SCHEMBL2969531 0.81 EPHX2 (0.52) ROCK2ROCK1EPHX2PPARGMAPT
SCHEMBL6981710 0.78 KDM4E (0.60) ROCK2ROCK1MAPTKDM4EHDAC6
SCHEMBL2927034 0.78 EPHX2 (0.55) ROCK2ROCK1EPHX2PPARG
SCHEMBL27370813 0.76 KDM4E (0.54) ROCK2MAPTKDM4ELMNA
SCHEMBL15616523 0.76 PPARG (0.51) ROCK2ROCK1PPARGMAPTLMNA
SCHEMBL3025736 0.74 ROCK2 (0.57) ROCK2ROCK1EPHX2PPARGMAPT
SCHEMBL3026165 0.74 EPHX2 (0.54) ROCK2ROCK1EPHX2MAPTKDM4E
SCHEMBL3024704 0.74 ROCK2 (0.47) ROCK2ROCK1EPHX2PPARGHDAC6

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 3 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 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 ROCK2 396/4885ROCK1 226/4885EPHX2 5/4885

“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.