SCHEMBL9939779

SCHEMBL9939779

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNE1 P15382 2/20 0.36
KCNQ1 P51787 2/20 0.36
KCNQ5 Q9NR82 1/20 0.36
HTT P42858 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
CNR2 P34972 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GRM5 P41594 1/20 0.33
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
HTR5A P47898 1/20 0.33
SORT1 Q99523 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL9939783 0.91 CHRNA1 (0.38) MAOBKCNQ3KCNQ2ANO1RXFP1
SCHEMBL9939501 0.83 PDE4B (0.39) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9939559 0.82 ALDH1A1 (0.44) RXFP1KDR
SCHEMBL9939796 0.82 ANO1 (0.35) MAOBANO1RXFP1GRM5
SCHEMBL9939551 0.81 CYP2D6 (0.37) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9939784 0.81 MEN1 (0.38) ANO1NPC1RAB9AGRM5SORT1
SCHEMBL17279293 0.80 PPARG (0.43) MAOBAURKARPS6KB1
SCHEMBL9939465 0.78 L3MBTL1 (0.39) NPC1RAB9A
SCHEMBL9920874 0.78 ALOX15 (0.39) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9920716 0.77 PRKAB2 (0.45) MAOBKCNQ3KCNQ2KCNE1KCNQ1

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 MAOB 1121/4885KCNQ3 2101/4885KCNQ2 1446/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B MAOB 1121/4885KCNQ3 2101/4885KCNQ2 1446/4885

“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.