SCHEMBL13701952

SCHEMBL13701952

O=C(Cc1ccccc1)NCc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.72
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.47
VHL P40337 1/20 0.47
MAPT P10636 1/20 0.46
HDAC1 Q13547 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
BACE1 P56817 1/20 0.45
CRACR2A Q9BSW2 1/20 0.45

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
SCHEMBL4255865 0.91 EPHX2 (0.76) EPHX2LMNA
SCHEMBL4245826 0.89 EPHX2 (0.60) EPHX2LMNAGAAALDH1A1VHL
SCHEMBL13701951 0.88 EPHX2 (0.89) EPHX2
SCHEMBL4256182 0.88 EPHX2 (0.86) EPHX2
SCHEMBL4257145 0.86 EPHX2 (0.71) EPHX2
SCHEMBL4246073 0.85 EPHX2 (0.87) EPHX2HDAC1
SCHEMBL13702192 0.84 EPHX2 (0.68) EPHX2MAPT
SCHEMBL4249798 0.83 EPHX2 (0.75) EPHX2CRACR2A
SCHEMBL4251029 0.83 EPHX2 (0.70) EPHX2ALDH1A1MAPT
SCHEMBL4255943 0.83 EPHX2 (0.74) EPHX2ALDH1A1

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 3 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
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 2/4885LMNA 1843/4885GAA 784/4885

“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.