SCHEMBL16675898

SCHEMBL16675898

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
AURKA O14965 2/20 0.33
NTRK1 P04629 2/20 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
SCHEMBL16682121 0.87 CYP2D6 (0.48) CYP2D6KDM4ETSHRRETSLC6A9
SCHEMBL16675894 0.86 RAB9A (0.39) NPC1RAB9ASMN1; SMN2CYP2D6TP53
SCHEMBL16675917 0.83 NPY5R (0.43) NPC1RAB9ASMN1; SMN2CYP2D6TP53
SCHEMBL16675911 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP2D6TP53
SCHEMBL16675906 0.82 NPC1 (0.36) NPC1RAB9ASMN1; SMN2CYP2D6TP53
SCHEMBL16675904 0.82 GRM4 (0.40) NPC1RAB9ASMN1; SMN2CYP2D6TP53
SCHEMBL16865707 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2CYP2D6TP53
SCHEMBL16675909 0.81 PAK4 (0.39) AURKANTRK1RETPLK4JAK2
SCHEMBL16675897 0.81 PLK4 (0.40) NPC1RAB9ACYP2D6CDK2NTRK1
SCHEMBL16865705 0.80 CCNA2 (0.50) NPC1RAB9ASMN1; SMN2CYP2D6TP53

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 720/4885SMN1; 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.