SCHEMBL9939456

SCHEMBL9939456

O=C(/N=C(\Nc1cccc(O)n1)Nc1ccccc1C1CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.36
MCHR1 Q99705 5/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
P2RY14 Q15391 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHODH Q02127 1/20 0.33
PDE2A O00408 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL9901953 0.89 SLC9A1 (0.38) SLC9A1MCHR1TRPV1CCNA2CDK2
SCHEMBL9901951 0.89 SLC9A1 (0.38) SLC9A1MCHR1TRPV1CCNA2CDK2
SCHEMBL9939759 0.83 P2RY1 (0.38) PTGS1TRPV1RXFP1MEN1NPC1
SCHEMBL9938509 0.82 MAPT (0.41) MCHR1PTGS1MEN1NPC1LMNA
SCHEMBL9939496 0.82 HDAC4 (0.39) MCHR1PTGS1TRPV1MEN1NPC1
SCHEMBL9939747 0.81 EPHX2 (0.41) TRPV1MEN1LMNAKMT2A
SCHEMBL15479561 0.80 EPHX2 (0.43) TRPV1MEN1LMNAMAPTKMT2A
SCHEMBL9939758 0.80 MEN1 (0.37) MCHR1PTGS1TRPV1PDE2AMEN1
SCHEMBL9939664 0.80 HDAC4 (0.41) MCHR1RXFP1MEN1NPC1LMNA
SCHEMBL9939556 0.78 MAPT (0.48) PTGS1RXFP1MEN1NPC1LMNA

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 5 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
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-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 SLC9A1 1531/4885MCHR1 4778/4885HSD17B10 2775/4885

“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.