SCHEMBL13865870

SCHEMBL13865870

C[Si](C)(C)CCOCn1c(=O)c(-c2cccc3c(=O)n(CCCCCO)sc23)nc2c(O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.32
▸ CASR P41180 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
SCHEMBL13865861 0.89 NPC1 (0.36) NPC1
SCHEMBL13865913 0.86 NPC1 (0.39) NPC1
SCHEMBL5668925 0.86 NPC1 (0.39) NPC1
SCHEMBL13865878 0.83 NPC1 (0.38) NPC1
SCHEMBL13866071 0.83 NPC1 (0.38) NPC1TLR8CASR
SCHEMBL14176094 0.83 NPC1 (0.38) NPC1TLR8CASR
SCHEMBL13870888 0.80 NPC1 (0.35) NPC1
SCHEMBL14193138 0.79 NPC1 (0.36) NPC1
SCHEMBL14193774 0.78 NPC1 (0.35) NPC1
SCHEMBL13866107 0.76 NPC1 (0.36) NPC1

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 NPC1 1218/4885TLR8 4327/4885CASR 4324/4885

“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.

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