SCHEMBL4121919

SCHEMBL4121919

CN(C)Cc1c(OCc2cccs2)ccc2c(CCC3CCNCC3)noc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
BCHE P06276 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4121186 0.87 ACHE (0.44) ACHEBCHE
SCHEMBL4125615 0.86 ACHE (0.40) ACHEBCHE
SCHEMBL4121503 0.85 ACHE (0.56) ACHEBCHE
SCHEMBL4116955 0.85 ACHE (0.37) ACHEBCHETLR9TLR8TLR7
SCHEMBL4115142 0.84 ACHE (0.39) ACHEBCHETLR9TLR8TLR7
Hydrochloric Acid SCHEMBL4120172 0.84 ACHE (0.55) ACHEBCHE
SCHEMBL4115043 0.84 GRM2 (0.38) ACHETLR9TLR8TLR7
SCHEMBL4114643 0.83 SLC6A4 (0.41) ACHEBCHETLR9TLR8TLR7
SCHEMBL13966088 0.83 ACHE (0.36) ACHEBCHETLR9TLR8TLR7
SCHEMBL4133483 0.83 GPR119 (0.38) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885BCHE 2215/4885TLR9 1433/4885

“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.