SCHEMBL9939647

SCHEMBL9939647

O=C(/N=C(/Nc1ccc(F)c(Cl)c1)Nc1cccc(O)n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
IDH1 O75874 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
IL2 P60568 1/20 0.38
MAOB P27338 1/20 0.38
CSF1R P07333 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
RAPGEF3 O95398 1/20 0.38
SLC2A1 P11166 1/20 0.37
HTT P42858 2/20 0.37
BAZ1A Q9NRL2 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL9939478 0.87 CYP2D6 (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9939556 0.86 MAPT (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9900564 0.85 TP53 (0.40) TP53MEN1KMT2AMAPTLMNA
SCHEMBL9900567 0.85 TP53 (0.40) TP53MEN1KMT2AMAPTLMNA
SCHEMBL9939676 0.85 RXFP1 (0.48) TP53MEN1KMT2AMAPTLMNA
SCHEMBL9939559 0.84 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL9938991 0.83 MAPT (0.45) TP53RAB9AMEN1KMT2AMAPT
SCHEMBL15479558 0.81 MAPT (0.46) TP53MEN1KMT2AMAPTLMNA
SCHEMBL9939658 0.81 KMT2A (0.50) TP53MEN1KMT2AMAPTLMNA
SCHEMBL9938509 0.80 MAPT (0.41) NPC1RAB9AMEN1KMT2AMAPT

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 TP53 891/4885NPC1 2559/4885RAB9A 603/4885

“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.