SCHEMBL4246609

SCHEMBL4246609

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.71
MAPT P10636 1/20 0.47
STAT3 P40763 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5 P09917 1/20 0.46
TBXAS1 P24557 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 1/20 0.45
TEK Q02763 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
HDAC10 Q969S8 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DGAT1 O75907 1/20 0.42

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
SCHEMBL4249078 0.92 EPHX2 (0.75) EPHX2MAPTSTAT3SMN1; SMN2ALOX5
SCHEMBL4248921 0.90 EPHX2 (0.70) EPHX2MAPTSTAT3SMN1; SMN2ALOX5
SCHEMBL4250890 0.88 EPHX2 (0.72) EPHX2SMN1; SMN2ALOX5TBXAS1SLC6A3
SCHEMBL4248700 0.86 EPHX2 (0.91) EPHX2SMN1; SMN2ALOX5TBXAS1SLC6A3
SCHEMBL13701966 0.85 EPHX2 (0.71) EPHX2MAPTALOX5TBXAS1SLC6A3
SCHEMBL13701872 0.84 EPHX2 (0.68) EPHX2MAPTALOX5TBXAS1SLC6A3
SCHEMBL4246845 0.84 EPHX2 (0.56) EPHX2MAPTSTAT3SMN1; SMN2NPC1
SCHEMBL4251824 0.83 EPHX2 (0.56) EPHX2MAPTSTAT3SMN1; SMN2NPC1
SCHEMBL13701855 0.83 EPHX2 (0.93) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701953 0.83 EPHX2 (0.74) EPHX2MAPTSMN1; SMN2ALOX5TBXAS1

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 2/4885MAPT 4084/4885STAT3 4872/4885

“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.