SCHEMBL9939656

SCHEMBL9939656

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 3/20 0.39
MLYCD O95822 1/20 0.39
MTOR P42345 1/20 0.37
PDE2A O00408 1/20 0.37
MAOB P27338 1/20 0.37
PSMD14 O00487 1/20 0.36
STAMBP O95630 1/20 0.36
KDM1A O60341 3/20 0.36
HDAC1 Q13547 3/20 0.36
CHRM3 P20309 1/20 0.36
MAPK14 Q16539 2/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9939760 0.94 LMNA (0.43) LMNATP53MAPTTRPV1MLYCD
SCHEMBL9900567 0.92 TP53 (0.40) LMNATP53MAPTTRPV1MLYCD
SCHEMBL9900564 0.92 TP53 (0.40) LMNATP53MAPTTRPV1MLYCD
SCHEMBL9939659 0.92 MLYCD (0.37) LMNATP53MAPTTRPV1MLYCD
SCHEMBL9939672 0.91 TRPV1 (0.43) TRPV1MLYCDMTORPDE2APSMD14
SCHEMBL9939575 0.90 TRPV1 (0.42) TRPV1MAOB
SCHEMBL17279298 0.90 GRM5 (0.36) LMNATP53MAPTTRPV1MLYCD
SCHEMBL9939540 0.90 MLYCD (0.44) LMNATP53MAPTTRPV1MLYCD
SCHEMBL9939464 0.90 PPARG (0.43) TRPV1MAOB
SCHEMBL9939564 0.90 MLYCD (0.50) MAPTTRPV1MLYCDMTORMAPK14

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 LMNA 2474/4885TP53 891/4885MAPT 2707/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B LMNA 2474/4885TP53 891/4885MAPT 2707/4885

“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.