SCHEMBL12293153

SCHEMBL12293153

CC(C)(C)c1nc(-c2cccc(C#N)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
GAA P10253 1/20 0.47
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
GRM5 P41594 1/20 0.45
IDO1 P14902 2/20 0.44
GRM2 Q14416 1/20 0.44
EIF4E P06730 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
XDH P47989 1/20 0.43
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL10094734 0.84 GAA (0.67) CYP1A1CYP1A2CYP1B1GAACTSS
SCHEMBL6238615 0.82 GAA (0.69) CYP1A1CYP1B1GAARECQL
SCHEMBL12775962 0.81 CTSS (0.46) CYP1A1CYP1A2CYP1B1GAACTSS
SCHEMBL12868318 0.80 ATP4A (0.55) IDO1SIRT5TSHRRECQL
SCHEMBL1858562 0.79 EIF4E (0.61) CYP1A1CYP1A2CYP1B1GAAIDO1
SCHEMBL30552612 0.79 ALDH1A1 (0.59) CYP1A1CYP1A2CYP1B1IDO1CLK4
SCHEMBL7371077 0.79 ALDH1A1 (0.59) CYP1A1CYP1A2CYP1B1IDO1CLK4
SCHEMBL3765637 0.79 IDO1 (0.49) CYP1A1CYP1A2CYP1B1GAACTSS
Bromide SCHEMBL30552479 0.78 ALDH1A1 (0.60) CYP1A1CYP1A2CYP1B1IDO1CLK4
Bromide SCHEMBL29056835 0.78 ALDH1A1 (0.60) CYP1A1CYP1A2CYP1B1IDO1CLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B CYP1A1 2092/4885CYP1A2 1979/4885CYP1B1 832/4885

“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.