SCHEMBL9939800

SCHEMBL9939800

O=C(/N=C(\Nc1cccc(O)n1)NC1CCOCC1)c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
GABRA5 P31644 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GSK3B P49841 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
MCHR1 Q99705 4/20 0.35
KDM1A O60341 2/20 0.35
DYRK1A Q13627 1/20 0.35
ABL1 P00519 2/20 0.34
ATR Q13535 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL9939757 0.93 KCNQ3 (0.40) KCNH2KCNQ3KCNQ2MCHR1HTR1A
SCHEMBL9939798 0.91 NPC1 (0.39) KCNH2KCNQ3KCNQ2MCHR1HTR1A
SCHEMBL9939795 0.91 NPC1 (0.41) KCNQ3KCNQ2MCHR1HTR2B
SCHEMBL9939791 0.89 CNR2 (0.41) CNR2GSK3BKCNH2KCNQ3KCNQ2
SCHEMBL9939536 0.88 KCNQ3 (0.37) KCNH2KCNQ3KCNQ2MCHR1KDM1A
SCHEMBL9939560 0.87 CNR2 (0.41) CNR2GABRA5HDAC4HDAC6KDM1A
SCHEMBL9938528 0.85 HDAC4 (0.44) HDAC4HDAC6KCNH2MCHR1ATR
SCHEMBL9939501 0.84 PDE4B (0.39) KCNQ3KCNQ2
SCHEMBL16621973 0.79 MAPK1 (0.37) KCNQ3KCNQ2
SCHEMBL9939792 0.78 CES1 (0.35) GSK3BHTR2B

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 CNR2 4140/4885GABRA5 3898/4885HDAC4 2116/4885

“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.