SCHEMBL9939672

SCHEMBL9939672

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.43
MAPK14 Q16539 1/20 0.42
MTOR P42345 1/20 0.42
LSS P48449 1/20 0.41
EPHX2 P34913 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
KDM1A O60341 3/20 0.40
HDAC1 Q13547 3/20 0.40
NAMPT P43490 2/20 0.40
PDE2A O00408 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MLYCD O95822 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
SCHEMBL9939527 0.96 VNN1 (0.43) TRPV1MAPK14MTORLSSEPHX2
SCHEMBL9939544 0.95 RXFP1 (0.42) TRPV1MAPK14MTORLSSPPARG
SCHEMBL9939564 0.92 MLYCD (0.50) TRPV1MAPK14MTORMLYCD
SCHEMBL9939656 0.91 LMNA (0.41) TRPV1MAPK14MTORPSMD14STAMBP
SCHEMBL9939760 0.91 LMNA (0.43) TRPV1MAPK14MTORLSSEPHX2
SCHEMBL9939659 0.90 MLYCD (0.37) TRPV1MAPK14MTORPSMD14STAMBP
SCHEMBL9900564 0.89 TP53 (0.40) TRPV1MTOREPHX2HDAC1MLYCD
SCHEMBL9900567 0.89 TP53 (0.40) TRPV1MTOREPHX2HDAC1MLYCD
SCHEMBL17279298 0.89 GRM5 (0.36) TRPV1MTORLSSEPHX2PPARG
SCHEMBL9939508 0.88 MEN1 (0.37)

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 9 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
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2014-02-20 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 (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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B TRPV1 3332/4885MAPK14 3802/4885MTOR 2755/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B TRPV1 3332/4885MAPK14 3802/4885MTOR 2755/4885

“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.