SCHEMBL13403265

SCHEMBL13403265

[C-]#[N+]c1ccc(C(=O)C(=O)c2ccc(OC)c(C)c2)cc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
KLK3 P07288 3/20 0.47
SLC2A1 P11166 1/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
F12 P00748 1/20 0.44
ABL1 P00519 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSD P07339 2/20 0.41
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3538604 0.81 CTSD (0.58) MKNK1MKNK2KLK3SLC2A1CYP11B1
SCHEMBL2143386 0.80 CYP11B1 (0.60) MKNK1MKNK2SLC2A1CYP11B1CYP11B2
SCHEMBL13403263 0.75 ALDH1A1 (0.48) MAPTRAB9AL3MBTL1MEN1ALDH1A1
SCHEMBL13403266 0.73 BACE1 (0.81) CTSDBACE1BACE2
SCHEMBL3535173 0.72 AURKA (0.47) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL16111924 0.70 MKNK1 (0.56) MKNK1MKNK2KLK3CYP11B1CYP11B2
SCHEMBL1911847 0.70 NPC1 (0.65) MKNK1MKNK2SLC2A1CYP11B1CYP11B2
SCHEMBL10841330 0.69 ALDH1A1 (0.64) MKNK1MKNK2KLK3KDM4ELMNA
SCHEMBL23190470 0.69 BACE1 (0.52) MKNK1MKNK2SLC2A1CYP11B1CYP11B2
SCHEMBL23326169 0.69 MKNK1 (0.56) MKNK1MKNK2CYP11B1CYP11B2KDM4E

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-7700602-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH LLC (US) 2010-04-20 US disclosed
US-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-04-09 US disclosed
US-7482349-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH (US) 2009-01-27 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-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP MKNK1 1259/4885MKNK2 1102/4885KLK3 4242/4885

“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.