SCHEMBL13596091

SCHEMBL13596091

COc1cc(CN(C)C)c2onc(CCC3CCNCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
DYRK3 O43781 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK4 Q9NR20 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
SLC6A4 P31645 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR4 Q13639 1/20 0.32
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32

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
SCHEMBL13596090 0.87 ACHE (0.46) ACHE
SCHEMBL4125583 0.82 ACHE (0.38) ACHESLC6A4
SCHEMBL13596100 0.81 ACHE (0.41) ACHETLR9TLR8TLR7SLC6A4
SCHEMBL13596113 0.79 ACHE (0.49) ACHETLR9TLR8TLR7SLC6A4
SCHEMBL13596019 0.77 ACHE (0.45) ACHETLR9TLR8TLR7SLC6A4
SCHEMBL4126903 0.74 ACHE (0.38) ACHETLR9TLR8TLR7SLC6A4
SCHEMBL13596037 0.73 ACHE (0.36) ACHETLR9TLR8TLR7SLC6A4
SCHEMBL4125706 0.73 ACHE (0.41) ACHETLR9TLR8TLR7
Hydrochloric Acid SCHEMBL9411201 0.73 ACHE (0.63) ACHETDP1
SCHEMBL13596047 0.72 ALDH1A1 (0.37) ACHESLC6A4TDP1

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ACHE 3716/4885TLR9 1433/4885TLR8 2219/4885

“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.