SCHEMBL9939765

SCHEMBL9939765

O=C(/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cccc(O)n1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 2/20 0.40
KCNQ1 P51787 2/20 0.40
CNR1 P21554 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
P2RX1 P51575 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.38
P2RY1 P47900 1/20 0.37
NPY5R Q15761 1/20 0.37
CSF1R P07333 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 0.92 CYP2D6 (0.42) CYP2D6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL15479558 0.90 MAPT (0.46) CYP2D6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9939562 0.89 CYP2D6 (0.47) CYP2D6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9939525 0.87 CYP2D6 (0.38) CYP2D6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9939530 0.86 MAPT (0.49) P2RX1HTTMAPK1LMNAMAPT
SCHEMBL9939658 0.86 KMT2A (0.50) CYP2D6P2RX1HTTLMNAMAPT
SCHEMBL9939551 0.85 CYP2D6 (0.37) CYP2D6KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9939676 0.83 RXFP1 (0.48) P2RX1LMNAMAPTALDH1A1KDM4E
SCHEMBL9938991 0.82 MAPT (0.45) P2RX1HTTLMNAMAPTALDH1A1
SCHEMBL9939559 0.81 ALDH1A1 (0.44) P2RX1LMNAMAPTALDH1A1KDM4E

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 1332/4885KCNQ3 2101/4885KCNQ2 1446/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B CYP2D6 1332/4885KCNQ3 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.