SCHEMBL9939478

SCHEMBL9939478

O=C(/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cccc(O)n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
MAPT P10636 2/20 0.38
RAPGEF3 O95398 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MTOR P42345 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
XPO1 O14980 2/20 0.36
EPAS1 Q99814 1/20 0.35
PTGS1 P23219 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RY1 P47900 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 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
SCHEMBL9939765 0.92 CYP2D6 (0.43) CYP2D6MAPTLMNAMEN1KMT2A
SCHEMBL9939525 0.87 CYP2D6 (0.38) CYP2D6MAPTRAPGEF3RAPGEF4MEN1
SCHEMBL9939647 0.87 TP53 (0.44) MAPTRAPGEF3LMNAMEN1NPC1
SCHEMBL9939492 0.87 CYP2D6 (0.40) CYP2D6MAPTRAPGEF3RAPGEF4MEN1
SCHEMBL9939562 0.86 CYP2D6 (0.47) CYP2D6MEN1NPC1RAB9AKMT2A
SCHEMBL9939551 0.86 CYP2D6 (0.37) CYP2D6RAPGEF3RAPGEF4MEN1RAB9A
SCHEMBL9939556 0.84 MAPT (0.48) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL9939676 0.83 RXFP1 (0.48) MAPTLMNAMEN1KMT2ARXFP1
SCHEMBL15479558 0.81 MAPT (0.46) CYP2D6MAPTLMNAMEN1KMT2A
SCHEMBL19362724 0.81 CYP2D6 (0.48) CYP2D6MAPTMEN1NPC1RAB9A

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 9 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
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2014-02-20 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 (2 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 CYP2D6 1332/4885MAPT 2707/4885RAPGEF3 244/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B CYP2D6 1332/4885MAPT 2707/4885RAPGEF3 244/4885

“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.