SCHEMBL9939794

SCHEMBL9939794

CCOC(=O)Nc1cccc(N/C(=N\C(=O)c2ccc(F)c(F)c2)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
HPGD P15428 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TRPA1 O75762 1/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX12 P18054 2/20 0.39
TP53 P04637 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 0.85 MAPT (0.45) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL9939799 0.84 MAPT (0.43) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL9939801 0.84 ALDH1A1 (0.44) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL9924134 0.82 MAPT (0.46) MAPTGAALMNASMN1; SMN2MEN1
SCHEMBL9900772 0.77 MEN1 (0.44) MAPTLMNAKDRMEN1KMT2A
SCHEMBL9900769 0.77 MEN1 (0.44) MAPTLMNAKDRMEN1KMT2A
SCHEMBL9900774 0.77 MEN1 (0.44) MAPTLMNAKDRMEN1KMT2A
SCHEMBL9939797 0.77 ROCK2 (0.38) MAPTNPSR1KDM4ELMNAPOLB
SCHEMBL9939559 0.77 ALDH1A1 (0.44) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL19592067 0.76 MAPT (0.44) MAPTNPSR1LMNATRPA1MEN1

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 MAPT 2707/4885ALDH1A1 1852/4885GAA 196/4885

“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.