SCHEMBL9938512

SCHEMBL9938512

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
BRAF P15056 1/20 0.40
MAPK1 P28482 8/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PTGER4 P35408 1/20 0.37
CNR2 P34972 1/20 0.36
SSTR3 P32745 1/20 0.36
SCN3A Q9NY46 1/20 0.35
MAOB P27338 1/20 0.35
EGFR P00533 1/20 0.35
MAPK10 P53779 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
SCHEMBL17279293 0.94 PPARG (0.43) PPARGBRAFMAPK1TRPV1PTGER4
SCHEMBL9939578 0.93 CNR2 (0.41) PPARGBRAFMAPK1HDAC3HDAC1
SCHEMBL9939575 0.93 TRPV1 (0.42) PPARGMAPK1TRPV1PTGER4MAOB
SCHEMBL9939182 0.92 MAOB (0.40) PPARGMAPK1HDAC1MAOBMAPK10
SCHEMBL9939464 0.90 PPARG (0.43) PPARGMAPK1TRPV1MAOBMAPK10
SCHEMBL9900564 0.89 TP53 (0.40) BRAFMAPK1HDAC3HDAC1HDAC2
SCHEMBL9900567 0.89 TP53 (0.40) BRAFMAPK1HDAC3HDAC1HDAC2
SCHEMBL9938507 0.87 TRPV1 (0.37) PPARGTRPV1PTGER4MAOB
SCHEMBL9939568 0.87 PPARG (0.40) PPARGBRAFMAPK1TRPV1PTGER4
SCHEMBL9939489 0.87 SMN1; SMN2 (0.39) CNR2MAOB

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 PPARG 1784/4885BRAF 1620/4885MAPK1 1978/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B PPARG 1784/4885BRAF 1620/4885MAPK1 1978/4885

“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.