SCHEMBL4251561

SCHEMBL4251561

NNc1ccc(C(N)=O)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KIT P10721 5/20 0.45
▸ FLT3 P36888 5/20 0.45
▸ SIRT6 Q8N6T7 2/20 0.42
▸ APP P05067 1/20 0.42
▸ P4HTM Q9NXG6 6/20 0.41
▸ ADORA3 P0DMS8 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ LCK P06239 1/20 0.38

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
SCHEMBL9621696 0.84 P4HTM (0.57) P4HTM
SCHEMBL13002904 0.82 KIT (0.53) NAMPTKMT2AKITFLT3SIRT6
SCHEMBL28292613 0.81 NAMPT (0.55) NAMPTKMT2AKITFLT3SIRT6
SCHEMBL1685926 0.79 NAMPT (0.54) NAMPTKMT2AKITFLT3P4HTM
SCHEMBL29260502 0.79 MAPK1 (0.61) P4HTMLCK
SCHEMBL10487101 0.77 P4HTM (0.50) KMT2AP4HTM
SCHEMBL30074643 0.75 KMT2A (0.58) NAMPTKMT2AKITFLT3SIRT6
SCHEMBL319254 0.75 KMT2A (0.58) NAMPTKMT2AKITFLT3SIRT6
SCHEMBL23488444 0.74 P4HTM (0.77) NAMPTKMT2AP4HTM
SCHEMBL10487108 0.74 MAPK1 (0.39) NAMPTKMT2AP4HTM

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
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 — — EP 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 NAMPT 1672/4885KMT2A 3792/4885KIT 1578/4885

“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.

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