SCHEMBL9939496

SCHEMBL9939496

O=C(/N=C(/Nc1cccc(O)n1)NC1CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.39
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PHGDH O43175 1/20 0.38
EPHX2 P34913 2/20 0.37
PDE4B Q07343 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR1 P34998 1/20 0.36
TEAD1 P28347 1/20 0.36
DRD4 P21917 1/20 0.36
PTGS1 P23219 1/20 0.36
DEGS1 O15121 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MCHR1 Q99705 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
SCHEMBL9939747 0.96 EPHX2 (0.41) HDAC4EPHX2MEN1LMNAKMT2A
SCHEMBL9939482 0.95 TAS1R3 (0.39) HDAC4MAPK11MAPK14PHGDHEPHX2
SCHEMBL9939789 0.95 HDAC4 (0.36) HDAC4MAPK11MAPK14PHGDHEPHX2
SCHEMBL15479561 0.95 EPHX2 (0.43) HDAC4EPHX2MEN1LMNAMAPT
SCHEMBL9938528 0.93 HDAC4 (0.44) HDAC4PHGDHEPHX2MEN1KMT2A
SCHEMBL9939670 0.92 ROCK2 (0.37) HDAC4MAPK11MAPK14PHGDHEPHX2
SCHEMBL9939843 0.88 EPHX2 (0.38) HDAC4EPHX2MEN1RAB9AKMT2A
SCHEMBL9939782 0.85 TAS1R3 (0.48) MAPT
SCHEMBL9939786 0.85 RXFP1 (0.39) HDAC4PDE4BNPC1LMNAMAPT
SCHEMBL9939664 0.85 HDAC4 (0.41) HDAC4MAPK14MEN1NPC1LMNA

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 HDAC4 2116/4885MAPK11 2749/4885MAPK14 3802/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B HDAC4 2116/4885MAPK11 2749/4885MAPK14 3802/4885

“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.