SCHEMBL16675969

SCHEMBL16675969

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ1 P51787 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
GRM4 Q14833 4/20 0.35
NTRK1 P04629 3/20 0.34
MAPK1 P28482 4/20 0.34
PARP1 P09874 1/20 0.34
CACNA1H O95180 3/20 0.33
ANO1 Q5XXA6 2/20 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
SCHEMBL16675943 0.83 GRM4 (0.40) TRPA1KCNQ3KCNQ2KCNQ1SCN5A
SCHEMBL16675928 0.76 NPC1 (0.39) NTRK1PARP1CACNA1HANO1
SCHEMBL16682182 0.75 CACNA1H (0.41) PARP1CACNA1HANO1
SCHEMBL16675967 0.68 GSK3B (0.36) MAPK1ANO1
SCHEMBL19976765 0.67 NTRK1 (0.41) NTRK1ANO1
SCHEMBL19976802 0.67 KDR (0.36) KCNQ3KCNQ2MAPK1
SCHEMBL19976730 0.66 HDAC6 (0.41) MAPK1
SCHEMBL19976726 0.66 ABL1 (0.41) NTRK1
SCHEMBL19976849 0.65 HDAC6 (0.36) KCNQ3KCNQ2KCNQ1GRM4MAPK1
SCHEMBL16675968 0.64 AURKA (0.32) KCNQ3KCNQ2PARP1ANO1

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 TRPA1 4248/4885KCNQ3 2418/4885KCNQ2 1756/4885

“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.