SCHEMBL16675943

SCHEMBL16675943

O=C(Cc1ccc(F)c(F)c1)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1n[nH]c2cc(F)cnc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.40
TRPA1 O75762 2/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ1 P51787 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP2D6 P10635 1/20 0.34
NTRK1 P04629 2/20 0.34
MAPK1 P28482 4/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CYP1A2 P05177 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL16675969 0.83 TRPA1 (0.37) GRM4TRPA1KCNQ3KCNQ2KCNQ1
SCHEMBL16675911 0.78 NPC1 (0.39) CYP2D6NTRK1AURKACYP1A2
SCHEMBL18556887 0.77 CYP2D6 (0.48) CYP2D6AURKARPS6KB1
SCHEMBL16675939 0.72 CDK2 (0.39) GRM4CYP2D6MAPK1AURKARPS6KB1
SCHEMBL16667689 0.71 CLK2 (0.52) CYP2D6NTRK1AURKARPS6KB1CYP1A2
SCHEMBL16667690 0.71 CLK2 (0.52) CYP2D6NTRK1AURKARPS6KB1CYP1A2
SCHEMBL18159978 0.69 CYP2D6 (0.39) GRM4KCNQ3KCNQ2KCNQ1CYP2D6
SCHEMBL16675917 0.68 NPY5R (0.43) CYP2D6NTRK1AURKACYP1A2GSK3B
SCHEMBL16682180 0.67 CYP2D6 (0.51) CYP2D6CYP1A2
SCHEMBL16797227 0.66 CYP2D6 (0.42) GRM4TRPA1KCNQ3KCNQ2KCNQ1

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 4 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-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
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 GRM4 1007/4885TRPA1 4248/4885KCNQ3 2418/4885

“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.