SCHEMBL9979755

SCHEMBL9979755

O=C(NCc1cc(-c2ccccc2)n(-c2ccccc2)n1)Nc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.78
PTGS2 P35354 6/20 0.62
MALT1 Q9UDY8 7/20 0.55
CACNA1G O43497 1/20 0.53
CACNA1H O95180 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
AKR1C3 P42330 1/20 0.51

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
SCHEMBL9941441 0.88 EPHX2 (1.00) EPHX2PTGS2AKR1C3
SCHEMBL15460590 0.82 EPHX2 (0.89) EPHX2PTGS2AKR1C3
SCHEMBL15460594 0.81 EPHX2 (0.86) EPHX2PTGS2
SCHEMBL15460592 0.80 EPHX2 (0.77) EPHX2PTGS2AKR1C3
SCHEMBL9941597 0.80 EPHX2 (1.00) EPHX2PTGS2AKR1C3
SCHEMBL9938827 0.78 EPHX2 (1.00) EPHX2PTGS2AKR1C3
SCHEMBL9939025 0.78 EPHX2 (1.00) EPHX2PTGS2AKR1C3
SCHEMBL31738522 0.78 EPHX2 (1.00) EPHX2PTGS2AKR1C3
SCHEMBL15463053 0.78 PTGS2 (0.80) EPHX2PTGS2AKR1C3
SCHEMBL9939539 0.78 EPHX2 (1.00) EPHX2PTGS2AKR1C3

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-20240024302-A1 SOLUBLE EPOXIDE HYDROLASE (sEH) INHIBITORS AND DUAL COX/sEH INHIBITORS FOR THE TREATMENT OF ARRHYTHMOGENIC CARDIOMYOPATHY BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2024-01-25 US disclosed
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
WO-2012082647-A2 PYRAZOLE INHIBITORS OF COX-2 AND sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 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 (2 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-20240024302-A1 SOLUBLE EPOXIDE HYDROLASE (sEH) INHIBITORS AND DUAL COX/sEH INHIBITORS FOR THE TREATMENT OF ARRHYTHMOGENIC CARDIOMYOPATHY EPHX1, EPHX2, PTGER1 EPHX2 2/4885PTGS2 8/4885MALT1 2094/4885
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH PTGES2, PTGS2, PTGES3 EPHX2 5/4885PTGS2 2/4885MALT1 3435/4885

“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.