SCHEMBL9939791

SCHEMBL9939791

O=C(/N=C(\Nc1cccc(O)n1)NC1CCCOC1)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
GSK3B P49841 2/20 0.39
KCNH2 Q12809 2/20 0.39
NAMPT P43490 3/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
BRAF P15056 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTRK1 P04629 1/20 0.33
MAPK1 P28482 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ACKR3 P25106 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
GRM5 P41594 2/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL9939795 0.90 NPC1 (0.41) NPC1RAB9AKCNQ3KCNQ2SMN1; SMN2
SCHEMBL9939798 0.90 NPC1 (0.39) KCNH2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL9939800 0.89 CNR2 (0.38) CNR2GSK3BKCNH2KCNQ3KCNQ2
SCHEMBL9939667 0.88 CNR2 (0.45) CNR2GSK3BKCNH2NAMPTMAPK1
SCHEMBL9939757 0.88 KCNQ3 (0.40) KCNH2NPC1RAB9AKCNQ3KCNQ2
SCHEMBL9939843 0.86 EPHX2 (0.38) CNR2GSK3BKCNH2NAMPTRAB9A
SCHEMBL9939536 0.83 KCNQ3 (0.37) KCNH2NAMPTKCNQ3KCNQ2ACKR3
SCHEMBL9939501 0.79 PDE4B (0.39) KCNQ3KCNQ2ACKR3
SCHEMBL16621973 0.78 MAPK1 (0.37) KCNQ3KCNQ2NTRK1MAPK1ACKR3
SCHEMBL9939488 0.77 RXFP1 (0.44) CNR2NPC1RAB9ASMN1; SMN2MAPK1

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 4140/4885GSK3B 4123/4885KCNH2 1659/4885

“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.