SCHEMBL13403263

SCHEMBL13403263

[C-]#[N+]c1ccc(C(=O)C(=O)c2ccc(OC)c(C)c2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
TAS1R3 Q7RTX0 7/20 0.40
TAS1R1 Q7RTX1 7/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3534758 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL13082597 0.76 TSHR (0.63) ALDH1A1CYP1A2CYP2C19ALOX15KMT2A
SCHEMBL13403265 0.75 MKNK1 (0.49) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL3538145 0.74 RAB9A (0.50) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL1164664 0.71 ALOX15 (0.51) ALDH1A1CYP1A2CYP2C19ALOX15RAB9A
SCHEMBL13403261 0.71 TTR (0.45) ALDH1A1HPGDALOX15KMT2AMEN1
SCHEMBL11577171 0.70 CYP1A2 (0.70) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL195793 0.69 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19ALOX15KMT2A
SCHEMBL701782 0.69 CA12 (0.71) ALDH1A1CYP1A2CYP2C19ALOX15RAB9A
SCHEMBL31003218 0.69 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19ALOX15KMT2A

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 ALDH1A1 2182/4885CYP1A2 2517/4885CYP2C19 3238/4885

“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.