SCHEMBL4886452

SCHEMBL4886452

CC[Si](CC)(CC)OC(C[AsH2])c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
HTR6 P50406 2/20 0.36
SLC6A4 P31645 2/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE1B Q01064 1/20 0.33
WDR5 P61964 1/20 0.33
ACP3 P15309 1/20 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
SCHEMBL8634074 0.85 AOC3 (0.44) AOC3HTR6SLC6A4GAAIDO1
SCHEMBL5009193 0.85 AOC3 (0.48) AOC3HTR6SLC6A4GAAIDO1
SCHEMBL8986918 0.85 AOC3 (0.44) AOC3HTR6SLC6A4GAAIDO1
SCHEMBL4864455 0.80 CNR1 (0.42) AOC3HTR6GAA
SCHEMBL9063602 0.72 AOC3 (0.43) AOC3SLC6A4IDO1TDO2SLC6A2
SCHEMBL8986774 0.71 AOC3 (0.39) AOC3SLC6A4SLC6A2SLC6A3PDE1B
SCHEMBL24615882 0.70 AOC3 (0.64) AOC3SLC6A4IDO1TDO2SLC6A2
SCHEMBL14587100 0.70 AOC3 (0.64) AOC3HTR6SLC6A4IDO1TDO2
SCHEMBL7153432 0.69 AOC3 (0.50) AOC3HTR6SLC6A4IDO1TDO2
SCHEMBL7003007 0.69 AOC3 (0.43) AOC3HTR6SLC6A4GAAIDO1

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-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20050187218-A1 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 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-20050187218-A1 Imidazole based kinase inhibitors MAP3K19, MAP3K1, ABL1 AOC3 3915/4885HTR6 3210/4885SLC6A4 4407/4885

“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.