SCHEMBL9939559

SCHEMBL9939559

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KDR P35968 2/20 0.42
EPHB4 P54760 1/20 0.42
LCK P06239 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SLC2A1 P11166 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
NTRK1 P04629 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL9938991 0.92 MAPT (0.45) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL9939676 0.89 RXFP1 (0.48) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL9939530 0.88 MAPT (0.49) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL9939658 0.88 KMT2A (0.50) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL9939556 0.87 MAPT (0.48) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL15479558 0.86 MAPT (0.46) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL9939647 0.84 TP53 (0.44) LMNAMAPTL3MBTL1KMT2AMEN1
SCHEMBL9939551 0.83 CYP2D6 (0.37) KDRKMT2AMEN1RXFP1
SCHEMBL9939472 0.82 KDR (0.41) ALDH1A1LMNAMAPTKDRKMT2A
SCHEMBL9939779 0.82 MAOB (0.38) KDRRXFP1

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 ALDH1A1 1852/4885LMNA 2474/4885MAPT 2707/4885

“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.