SCHEMBL16675911

SCHEMBL16675911

Cc1cc(N/C(=N\C(=O)Cc2ccc(F)c(F)c2)Nc2cc(F)cc(Cl)c2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NTRK1 P04629 6/20 0.38
PLK4 O00444 5/20 0.38
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK2 P24941 3/20 0.35
CACNA1H O95180 2/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35

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
SCHEMBL16675917 0.90 NPY5R (0.43) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL18556887 0.87 CYP2D6 (0.48) CYP2D6CDK2CACNA1HNPY5RAURKA
SCHEMBL9920888 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL16675894 0.83 RAB9A (0.39) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL16675898 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL16675928 0.82 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL16865707 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL16865705 0.79 CCNA2 (0.50) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL16675906 0.79 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL16675904 0.79 GRM4 (0.40) NPC1RAB9ASMN1; SMN2TP53CYP1A2

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 NPC1 627/4885RAB9A 720/4885SMN1; SMN2 2421/4885

“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.