SCHEMBL16675928

SCHEMBL16675928

Cc1cc(N/C(=N\C(=O)Cc2ccc(F)c(F)c2)NC(C)(C)C)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
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK4 O00444 1/20 0.39
NTRK1 P04629 1/20 0.39
CDK2 P24941 4/20 0.38
CCNA2 P20248 2/20 0.38
CCNA1 P78396 2/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CACNA1H O95180 5/20 0.37
SYK P43405 1/20 0.36
PARP1 P09874 1/20 0.35
ATM Q13315 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
LCK P06239 1/20 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
SCHEMBL16682182 0.88 CACNA1H (0.41) CDK2CACNA1HPARP1ANO1LCK
SCHEMBL16675922 0.84 CDK7 (0.44) NPC1RAB9ACYP2C19SMN1; SMN2CDK2
SCHEMBL16675911 0.82 NPC1 (0.39) NPC1RAB9ATP53CYP1A2CYP2C19
SCHEMBL18556898 0.81 RAB9A (0.49) NPC1RAB9ASMN1; SMN2CDK2CCNA2
SCHEMBL16675926 0.78 CCNA2 (0.41) NPC1RAB9ATP53CYP1A2CYP2C19
SCHEMBL16675921 0.77 CCNA2 (0.40) NPC1RAB9ATP53CYP1A2CYP2C19
SCHEMBL16675969 0.76 TRPA1 (0.37) NTRK1CACNA1HPARP1ANO1
SCHEMBL16675912 0.74 RET (0.39) NPC1RAB9ATP53SMN1; SMN2CDK2
SCHEMBL16675931 0.73 CDK2 (0.37) NPC1RAB9ACDK2CCNA2CCNA1
SCHEMBL16675923 0.73 RET (0.38) NPC1RAB9ATP53SMN1; SMN2CDK2

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 NPC1 627/4885RAB9A 720/4885TP53 1551/4885

“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.