SCHEMBL4246867

SCHEMBL4246867

O=C(NCc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.64
PTGS2 P35354 3/20 0.57
MAPT P10636 2/20 0.54
CYP2C9 P11712 2/20 0.51
RPA1 P27694 1/20 0.49
NAMPT P43490 1/20 0.49
CACNA1G O43497 1/20 0.49
CACNA1H O95180 1/20 0.49
PTGS1 P23219 2/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL4248311 0.96 EPHX2 (0.61) EPHX2PTGS2MAPTCYP2C9RPA1
SCHEMBL4246189 0.87 PTGS2 (0.56) EPHX2PTGS2MAPTCYP2C9NAMPT
SCHEMBL4252961 0.85 PTAFR (0.54) EPHX2PTGS2MAPTCYP2C9NAMPT
SCHEMBL13701951 0.84 EPHX2 (0.89) EPHX2NAMPTAKT1AKT2AKT3
SCHEMBL4252750 0.84 PTGS2 (0.54) EPHX2PTGS2MAPTCYP2C9PTGS1
SCHEMBL4251818 0.82 PTGS2 (0.69) EPHX2PTGS2MAPTCYP2C9PTGS1
SCHEMBL4256212 0.81 PTGS2 (0.53) EPHX2PTGS2MAPTCYP2C9HDAC3
SCHEMBL4251821 0.81 EPHX2 (0.72) EPHX2PTGS2MAPTPTGS1TP53
SCHEMBL4253807 0.81 EPHX2 (0.71) EPHX2PTGS2MAPTPTGS1TP53
SCHEMBL4251801 0.81 PTGS2 (0.55) EPHX2PTGS2MAPTCYP2C9NAMPT

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 2/4885PTGS2 158/4885MAPT 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.