SCHEMBL9939501

SCHEMBL9939501

O=C(/N=C(/Nc1cccc(O)n1)NC1CC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.39
PDE4D Q08499 3/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
AR P10275 1/20 0.38
MAOB P27338 3/20 0.37
ACKR3 P25106 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNE1 P15382 2/20 0.35
KCNQ1 P51787 2/20 0.35
KCNQ5 Q9NR82 1/20 0.35
F10 P00742 1/20 0.34
MGLL Q99685 1/20 0.34
HPGD P15428 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
SCHEMBL9939757 0.91 KCNQ3 (0.40) PDE4BPDE4DARMAOBACKR3
SCHEMBL9939798 0.87 NPC1 (0.39) ACKR3MEN1ALDH1A1KMT2AKCNQ3
SCHEMBL9939795 0.87 NPC1 (0.41) ACKR3MEN1ALDH1A1KMT2AKCNQ3
SCHEMBL9939800 0.84 CNR2 (0.38) KCNQ3KCNQ2
SCHEMBL9939536 0.83 KCNQ3 (0.37) ARACKR3KCNQ3KCNQ2
SCHEMBL9939779 0.83 MAOB (0.38) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9939488 0.81 RXFP1 (0.44) MEN1ALDH1A1KMT2A
SCHEMBL9939496 0.81 HDAC4 (0.39) PDE4BMAPK14MEN1KMT2A
SCHEMBL9939786 0.80 RXFP1 (0.39) PDE4BPDE4DPDE4APDE4CACKR3
SCHEMBL9939551 0.80 CYP2D6 (0.37) MAOBMEN1KMT2AKCNQ3KCNQ2

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 PDE4B 322/4885PDE4D 469/4885PDE4A 229/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B PDE4B 322/4885PDE4D 469/4885PDE4A 229/4885

“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.