SCHEMBL9939674

SCHEMBL9939674

O=C(/N=C(/NCc1cccc(Cl)c1)Nc1cccc(O)n1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.42
MAOB P27338 1/20 0.42
ROCK2 O75116 3/20 0.41
CNR1 P21554 1/20 0.41
GRM5 P41594 2/20 0.41
ROCK1 Q13464 2/20 0.41
CXCR3 P49682 1/20 0.40
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL9938508 0.92 RXFP1 (0.46) RXFP1
SCHEMBL9939182 0.90 MAOB (0.40) NPC1MAOBROCK2ROCK1MAPK3
SCHEMBL9939464 0.90 PPARG (0.43) RXFP1MAOBROCK2ROCK1MAPK1
SCHEMBL9939578 0.89 CNR2 (0.41) RXFP1MAOBGRM5MAPK1HDAC1
SCHEMBL9939568 0.88 PPARG (0.40) RXFP1MAOBMAPK1
SCHEMBL9939640 0.88 RXFP1 (0.40) RXFP1ROCK2CNR1GRM5ROCK1
SCHEMBL9939678 0.86 ROCK2 (0.41) RXFP1ROCK2CNR1GRM5ROCK1
SCHEMBL9939544 0.85 RXFP1 (0.42) RXFP1CNR1
SCHEMBL9939681 0.84 SCN2A (0.43) RXFP1NPC1MAOBCNR1
SCHEMBL9939392 0.84 RXFP1 (0.46) RXFP1NPC1CNR1GRM5

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 7 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
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 RXFP1 3462/4885NPC1 2559/4885MAOB 1121/4885

“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.