SCHEMBL16675912

SCHEMBL16675912

Cc1ccc(CC(=O)/N=C(/NCC(C)(C)O)Nc2cc(C)[nH]n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
JAK2 O60674 1/20 0.37
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAPDH P04406 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL16675907 0.92 CDK2 (0.46) RETCCNA2CDK2CCNA1JAK2
SCHEMBL16675899 0.84 CCNA2 (0.40) RETCCNA2CDK2CCNA1CDK7
SCHEMBL16675902 0.82 CCNA2 (0.38) RETCCNA2CDK2CCNA1NPC1
SCHEMBL16682168 0.80 P2RX7 (0.37) RETCDK2ANO1
SCHEMBL16675915 0.80 CCNA2 (0.37) RETCCNA2CDK2CCNA1NPC1
SCHEMBL16682120 0.79 NPY5R (0.38) RETCCNA2CDK2CCNA1NPY5R
SCHEMBL16675896 0.78 RET (0.37) RETCCNA2CDK2CCNA1NPC1
SCHEMBL16675941 0.77 GSK3B (0.48) CDK2
SCHEMBL16675922 0.75 CDK7 (0.44) CCNA2CDK2CCNA1CDK7CCNH
SCHEMBL16675924 0.75 RET (0.36) RETCCNA2CDK2CCNA1NPC1

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 RET 4696/4885CCNA2 2214/4885CDK2 3048/4885

“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.