SCHEMBL4245839

SCHEMBL4245839

O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.56
GRM5 P41594 2/20 0.39
MAPT P10636 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS1 P23219 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4248891 0.88 EPHX2 (0.54) EPHX2GRM5RXFP1
SCHEMBL4246247 0.85 EPHX2 (0.57) EPHX2GRM5ALOX15TSHRCASP1
SCHEMBL4245901 0.83 EPHX2 (0.82) EPHX2GRM5MAPTALOX15TSHR
SCHEMBL4248352 0.79 EPHX2 (0.58) EPHX2GRM5MAPTNPC1RAB9A
SCHEMBL4246845 0.78 EPHX2 (0.56) EPHX2MAPTNPC1RAB9AKDM4E
SCHEMBL13701988 0.76 EPHX2 (0.50) EPHX2GRM5MAPTNPC1RAB9A
SCHEMBL4247321 0.75 EPHX2 (0.83) EPHX2ALOX15TSHRCASP1NPSR1
SCHEMBL4246068 0.74 EPHX2 (0.86) EPHX2ALOX15TSHRCASP1NPSR1
SCHEMBL4246175 0.74 EPHX2 (0.79) EPHX2NPC1RAB9AHTTMEN1
SCHEMBL4253810 0.74 EPHX2 (0.84) EPHX2GRM5MAPTNPSR1LMNA

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 2/4885GRM5 3803/4885MAPT 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.