SCHEMBL9939670

SCHEMBL9939670

O=C(/N=C(\Nc1cccc(O)n1)NC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
NAMPT P43490 1/20 0.37
SCN9A Q15858 1/20 0.36
IDH1 O75874 3/20 0.35
IDH2 P48735 1/20 0.35
PHGDH O43175 1/20 0.35
DEGS1 O15121 1/20 0.34
KDM1A O60341 1/20 0.34
MCHR1 Q99705 1/20 0.34
HDAC4 P56524 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.33
CNR1 P21554 1/20 0.33
TEAD1 P28347 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
SCHEMBL9939496 0.92 HDAC4 (0.39) PHGDHDEGS1MCHR1HDAC4MAPK11
SCHEMBL9939747 0.90 EPHX2 (0.41) HDAC4ALDH1A1EPHX2
SCHEMBL15479561 0.89 EPHX2 (0.43) HDAC4ALDH1A1EPHX2
SCHEMBL9939789 0.88 HDAC4 (0.36) PHGDHMCHR1HDAC4MAPK11MAPK14
SCHEMBL9939482 0.88 TAS1R3 (0.39) ROCK2PHGDHMCHR1HDAC4MAPK11
SCHEMBL9938528 0.88 HDAC4 (0.44) SCN9APHGDHMCHR1HDAC4LRRK2
SCHEMBL9939536 0.85 KCNQ3 (0.37) ROCK2NAMPTKDM1AMCHR1CNR1
SCHEMBL9939843 0.83 EPHX2 (0.38) NAMPTHDAC4EPHX2
SCHEMBL9939781 0.81 DEGS1 (0.37) DEGS1
SCHEMBL9939782 0.80 TAS1R3 (0.48)

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 ROCK2 1728/4885NAMPT 297/4885SCN9A 2799/4885

“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.