SCHEMBL13403261

SCHEMBL13403261

[C-]#[N+]c1ccc(C(=O)O)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
TSHR P16473 3/20 0.44
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.39
SRD5A2 P31213 2/20 0.39

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
SCHEMBL13005811 0.78 CA12 (0.57) TTRTSHRHTTTP53CA12
SCHEMBL13216343 0.77 CDC25B (0.46) TSHRHTTTP53CA12CA1
SCHEMBL12593723 0.77 TSHR (0.47) TSHRTP53CA12CA1CA2
SCHEMBL29810232 0.74 TTR (0.56) TTRTSHRHTTTP53CA12
SCHEMBL588825 0.74 TTR (0.56) TTRTSHRHTTTP53CA12
SCHEMBL112432 0.74 TSHR (0.65) TTRTSHRTP53CA12CA1
SCHEMBL30375607 0.74 TSHR (0.65) TTRTSHRTP53CA12CA1
SCHEMBL11507721 0.73 TTR (0.54) TTRTSHRHTTTP53CA12
SCHEMBL312791 0.71 CA12 (0.64) TTRTSHRHTTTP53CA12
SCHEMBL71015 0.71 TTR (0.52) TTRTSHRHTTTP53CA12

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 TTR 649/4885TSHR 4786/4885HTT 713/4885

“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.