SCHEMBL9939464

SCHEMBL9939464

O=C(/N=C(/NCc1ccc(F)c(F)c1)Nc1cccc(O)n1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
TRPV1 Q8NER1 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
ERCC1 P07992 2/20 0.37
ERCC4 Q92889 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MMP13 P45452 2/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.35

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
SCHEMBL9939568 0.94 PPARG (0.40) PPARGTRPV1RXFP1MAOBMAPK1
SCHEMBL9939578 0.93 CNR2 (0.41) PPARGRXFP1MAOBMAPK1ERCC1
SCHEMBL9939575 0.93 TRPV1 (0.42) PPARGTRPV1MAOBMAPK1MAPK10
SCHEMBL9939640 0.92 RXFP1 (0.40) PPARGTRPV1RXFP1ERCC1ERCC4
SCHEMBL17279293 0.92 PPARG (0.43) PPARGTRPV1MAOBMAPK1MAPK10
SCHEMBL9938508 0.91 RXFP1 (0.46) TRPV1RXFP1
SCHEMBL9938512 0.90 PPARG (0.40) PPARGTRPV1MAOBMAPK1MAPK10
SCHEMBL9939182 0.90 MAOB (0.40) PPARGMAOBMAPK1MAPK10ROCK2
SCHEMBL9939674 0.90 RXFP1 (0.43) RXFP1MAOBMAPK1ROCK2ROCK1
SCHEMBL9939656 0.90 LMNA (0.41) TRPV1MAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B PPARG 1784/4885TRPV1 3332/4885RXFP1 3462/4885

“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.