SCHEMBL9938528

SCHEMBL9938528

O=C(/N=C(\Nc1cccc(O)n1)NC1CCOCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TRPV1 Q8NER1 3/20 0.42
EPHX2 P34913 3/20 0.39
PIM1 P11309 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
ATR Q13535 1/20 0.35
PHGDH O43175 1/20 0.35
SCN9A Q15858 1/20 0.35
MAPK1 P28482 1/20 0.35
MCHR1 Q99705 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL9939496 0.93 HDAC4 (0.39) HDAC4HDAC6TRPV1EPHX2MEN1
SCHEMBL9939747 0.91 EPHX2 (0.41) HDAC4HDAC6TRPV1EPHX2MEN1
SCHEMBL15479561 0.90 EPHX2 (0.43) HDAC4HDAC6TRPV1EPHX2MEN1
SCHEMBL9939843 0.89 EPHX2 (0.38) HDAC4HDAC6TRPV1EPHX2MEN1
SCHEMBL9939482 0.89 TAS1R3 (0.39) HDAC4EPHX2ATRPHGDHMCHR1
SCHEMBL9939789 0.89 HDAC4 (0.36) HDAC4HDAC6TRPV1EPHX2MEN1
SCHEMBL9939670 0.88 ROCK2 (0.37) HDAC4EPHX2PHGDHSCN9AMCHR1
SCHEMBL9939560 0.87 CNR2 (0.41) HDAC4HDAC6ATR
SCHEMBL9939800 0.85 CNR2 (0.38) HDAC4HDAC6KCNH2ATRMCHR1
SCHEMBL9939782 0.81 TAS1R3 (0.48)

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 HDAC4 2116/4885HDAC6 2112/4885TRPV1 3332/4885

“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.