SCHEMBL4245833

SCHEMBL4245833

O=C(NCCc1ccccc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.71
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LHCGR P22888 1/20 0.49
NAMPT P43490 1/20 0.49
PTAFR P25105 1/20 0.49
TBXAS1 P24557 2/20 0.48
ALOX5 P09917 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MLYCD O95822 2/20 0.47
HDAC4 P56524 1/20 0.46

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
SCHEMBL4250838 0.95 EPHX2 (0.69) EPHX2RAB9ANPC1LHCGRPTAFR
SCHEMBL4256182 0.91 EPHX2 (0.86) EPHX2KMT2ANAMPTTBXAS1ALOX5
SCHEMBL4254912 0.88 EPHX2 (0.69) EPHX2LHCGRPTAFRTBXAS1ALOX5
SCHEMBL4247214 0.87 EPHX2 (0.67) EPHX2TBXAS1ALOX5SLC6A3SIGMAR1
SCHEMBL13701951 0.87 EPHX2 (0.89) EPHX2KMT2ANAMPTTBXAS1ALOX5
SCHEMBL4250859 0.86 EPHX2 (0.69) EPHX2TBXAS1ALOX5SLC6A3SIGMAR1
SCHEMBL4251826 0.85 EPHX2 (0.66) EPHX2LHCGRNAMPTPTAFRTBXAS1
SCHEMBL4249781 0.85 EPHX2 (0.68) EPHX2TBXAS1ALOX5SLC6A3SIGMAR1
SCHEMBL4253785 0.85 EPHX2 (0.68) EPHX2NAMPTPTAFRTBXAS1ALOX5
SCHEMBL4246189 0.84 PTGS2 (0.56) EPHX2RAB9AMEN1NPC1KMT2A

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 2/4885RAB9A 2708/4885MEN1 4409/4885

“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.