SCHEMBL9939798

SCHEMBL9939798

O=C(/N=C(\Nc1cccc(O)n1)NC1CCC1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
MCHR1 Q99705 5/20 0.37
ACKR3 P25106 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
FAAH O00519 2/20 0.35
GRM5 P41594 2/20 0.35
HTR2B P41595 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
NPY5R Q15761 1/20 0.35
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34

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 0.98 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL9939757 0.96 KCNQ3 (0.40) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL9939800 0.91 CNR2 (0.38) KCNQ3KCNQ2MCHR1HTR2BHTR1A
SCHEMBL9939536 0.90 KCNQ3 (0.37) KCNQ3KCNQ2MCHR1ACKR3HTR2B
SCHEMBL9939791 0.90 CNR2 (0.41) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL9939501 0.87 PDE4B (0.39) KCNQ3KCNQ2ACKR3KMT2AMEN1
SCHEMBL9939488 0.84 RXFP1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16621973 0.83 MAPK1 (0.37) KCNQ3KCNQ2ACKR3TAS1R3TAS1R1
SCHEMBL9939792 0.82 CES1 (0.35) SMN1; SMN2GRM5HTR2BKMT2AMEN1
SCHEMBL9939747 0.82 EPHX2 (0.41) SMN1; SMN2ACKR3KMT2AMEN1ALDH1A1

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 NPC1 2559/4885RAB9A 603/4885SMN1; SMN2 3079/4885

“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.