SCHEMBL3024704

SCHEMBL3024704

Clc1nc(Cl)nc(-c2ccccc2)n1.O=C(NCc1ccccc1OC(F)(F)F)c1ccc2c(c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 1/20 0.47
EPHX2 P34913 3/20 0.45
PPARG P37231 2/20 0.43
HSD17B13 Q7Z5P4 5/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
DDR1 Q08345 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HTT P42858 1/20 0.39
ALOX5 P09917 1/20 0.38
NTRK1 P04629 2/20 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
SCHEMBL2969531 0.89 EPHX2 (0.52) ROCK2ROCK1EPHX2PPARGHSD17B13
SCHEMBL3032935 0.83 ROCK2 (0.44) ROCK2ROCK1EPHX2PPARGHSD17B13
SCHEMBL3029239 0.75 ROCK2 (0.54) ROCK2ROCK1EPHX2PPARGHSD17B13
SCHEMBL3470919 0.75 EPHX2 (0.54) ROCK2ROCK1EPHX2PPARG
SCHEMBL3025646 0.74 EPHX2 (0.51) ROCK2ROCK1EPHX2PPARGHDAC6
SCHEMBL13218656 0.74 ROCK2 (0.53) ROCK2ROCK1EPHX2PPARGHSD17B13
SCHEMBL13112865 0.74 HPGD (0.56) ROCK2ROCK1LMNATP53HTT
SCHEMBL2906841 0.73 EPHX2 (0.52) ROCK2ROCK1EPHX2PPARGLMNA
SCHEMBL3579975 0.73 PTGER1 (0.62) ROCK2ROCK1HDAC6HTR2CHTR2B
SCHEMBL3729487 0.72 PTPN1 (0.45) LMNA

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 2 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

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.