SCHEMBL16675968

SCHEMBL16675968

CC(C)(C)CC(=O)/N=C(\Nc1n[nH]c2c(O)ccc(F)c12)NC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
ANO1 Q5XXA6 4/20 0.31
PARP1 P09874 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL16675948 0.83 CYP2D6 (0.37) AURKAAURKBCDK19ANO1CDK1
SCHEMBL16752855 0.83 CHRNA1 (0.34) ANO1KCNQ3KCNQ2CDK2
SCHEMBL16752857 0.83 CHRNA1 (0.34) ANO1KCNQ3KCNQ2CDK2
SCHEMBL16752861 0.71 MEN1 (0.37) ANO1
SCHEMBL16752859 0.71 MEN1 (0.37) ANO1
SCHEMBL19976790 0.71 CHRNA1 (0.33)
SCHEMBL16667675 0.69 RAB9A (0.57) CDK2
SCHEMBL16667674 0.69 RAB9A (0.57) CDK2
SCHEMBL16675967 0.69 GSK3B (0.36) AURKBANO1CDK1CDK2GSK3B
SCHEMBL19976780 0.69 LMNA (0.33)

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 AURKA 1571/4885AURKB 1274/4885CDK19 3070/4885

“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.