SCHEMBL16675904

SCHEMBL16675904

Cc1cc(N/C(=N\C(=O)CC2CCCCC2)Nc2cc(F)cc(Cl)c2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
EPHX2 P34913 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A9 P48067 6/20 0.34
SLC6A5 Q9Y345 3/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLK4 O00444 1/20 0.34
NTRK1 P04629 1/20 0.34
MAP4K4 O95819 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL16675897 0.91 PLK4 (0.40) GRM4NPC1RAB9ACYP2D6PLK4
SCHEMBL16675906 0.89 NPC1 (0.36) GRM4NPC1RAB9AALDH1A1CYP2D6
SCHEMBL18556916 0.88 CYP2D6 (0.46) GRM4EPHX2ALDH1A1CYP2D6SLC6A9
SCHEMBL16675913 0.86 GRM4 (0.42) GRM4NPC1RAB9AALDH1A1CYP2D6
SCHEMBL16675918 0.85 GRM4 (0.43) GRM4NPC1RAB9ALCKRET
SCHEMBL16675898 0.82 NPC1 (0.39) GRM4NPC1RAB9ARETALDH1A1
SCHEMBL16675894 0.82 RAB9A (0.39) GRM4NPC1RAB9ALCKRET
SCHEMBL16675917 0.80 NPY5R (0.43) NPC1RAB9ALCKRETSRC
SCHEMBL18556908 0.79 CYP2D6 (0.44) GRM4CYP2D6SLC6A9CYP1A2CYP2C19
SCHEMBL16675911 0.79 NPC1 (0.39) NPC1RAB9ARETALDH1A1CYP2D6

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 3 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

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 1007/4885EPHX2 3548/4885NPC1 627/4885

“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.