SCHEMBL4249932

SCHEMBL4249932

CCOc1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.75
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
TEK Q02763 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
ALOX5 P09917 1/20 0.49
TBXAS1 P24557 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CRACR2A Q9BSW2 1/20 0.49

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
SCHEMBL4257268 0.94 EPHX2 (0.73) EPHX2MAPTTSHRMAPK1TEK
SCHEMBL4257082 0.94 EPHX2 (0.75) EPHX2KDM4EMAPTTSHRTEK
SCHEMBL4246261 0.93 EPHX2 (0.72) EPHX2TSHRMAPK1TEKALDH1A1
SCHEMBL4252949 0.92 EPHX2 (0.78) EPHX2MAPTTSHRMAPK1TEK
SCHEMBL4251066 0.90 EPHX2 (0.78) EPHX2TEKCRACR2A
SCHEMBL4246916 0.90 EPHX2 (0.77) EPHX2TEK
SCHEMBL4252829 0.89 EPHX2 (0.82) EPHX2MAPTMAPK1TEKCRACR2A
SCHEMBL4249331 0.88 EPHX2 (0.75) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4245799 0.88 EPHX2 (0.70) EPHX2TSHRMAPK1TEKALOX5
SCHEMBL4250539 0.88 EPHX2 (0.82) EPHX2MAPTTEKLMNAALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885KDM4E 1988/4885MAPT 4084/4885

“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.