SCHEMBL16682168

SCHEMBL16682168

CC(C)(O)CN/C(=N/C(=O)Cc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
MAPK1 P28482 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PDE2A O00408 1/20 0.34
ACR P10323 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
RET P07949 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
STK25 O00506 1/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
NLRP3 Q96P20 1/20 0.33
GSK3B P49841 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 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
SCHEMBL16682120 0.91 NPY5R (0.38) MAPK1RETLCKSRCCCNE1
SCHEMBL18556891 0.84 RET (0.37) RETSTK25LCKSRCCCNE1
SCHEMBL16682107 0.82 RET (0.37) RETSTK25LCKSRCCCNE1
SCHEMBL16682117 0.80 RET (0.36) RETSTK25LCKSRCCCNE1
SCHEMBL16675912 0.80 RET (0.39) ANO1RETCDK2
SCHEMBL16682109 0.78 CACNA1I (0.38) RETSTK25LCKSRCCCNE1
SCHEMBL16682172 0.78 GSK3B (0.47) MAPK1GSK3B
SCHEMBL9921124 0.77 ACR (0.37) MAPK1ROCK2ROCK1ACRSTK25
SCHEMBL16682182 0.76 CACNA1H (0.41) ROCK2ANO1RETLCKSRC
SCHEMBL18556909 0.74 RET (0.33) RETSTK25LCKSRCCCNE1

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 P2RX7 1981/4885MAPK1 3291/4885ROCK2 2098/4885

“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.