SCHEMBL16682108

SCHEMBL16682108

O=C(CN1CCOCC1)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP4K4 O95819 1/20 0.36
ATM Q13315 1/20 0.35
WDR5 P61964 1/20 0.35
PLK4 O00444 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PAK4 O96013 1/20 0.35
NTRK1 P04629 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
WNT3A P56704 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 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
SCHEMBL16675909 0.88 PAK4 (0.39) MAP4K4ATMPLK4HTR2AHTR2C
SCHEMBL18556908 0.85 CYP2D6 (0.44) CYP2D6PLK4NTRK1
SCHEMBL21093187 0.83 CYP2D6 (0.50) CYP2D6
SCHEMBL16682165 0.83 CYP2D6 (0.46) CYP2D6
SCHEMBL16682133 0.81 EGFR (0.40) POLBL3MBTL1WDR5HIF1AEPAS1
SCHEMBL18556885 0.81 CYP2D6 (0.49) CYP2D6
SCHEMBL16682121 0.81 CYP2D6 (0.48) CYP2D6
SCHEMBL16812137 0.81 CYP2D6 (0.48) CYP2D6
SCHEMBL18556916 0.79 CYP2D6 (0.46) CYP2D6L3MBTL1MAP4K4ALDH1A1
SCHEMBL16682131 0.79 WDR5 (0.37) POLBL3MBTL1WDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C CYP2D6 3177/4885POLB 1109/4885L3MBTL1 3060/4885

“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.