SCHEMBL13866071

SCHEMBL13866071

C[Si](C)(C)CCOCn1c(=O)c(-c2cccc3c(=O)n(CCCCCCCO)[nH]c23)nc2c(O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ GYS1 P13807 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ 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
SCHEMBL14176094 1.00 NPC1 (0.38) NPC1GYS1MEN1MITFMAPT
SCHEMBL13866107 0.85 NPC1 (0.36) NPC1
SCHEMBL13865870 0.83 NPC1 (0.38) NPC1TLR8CASR
SCHEMBL13866249 0.82 NPC1 (0.34) NPC1
SCHEMBL13866164 0.78 GYS1 (0.37) NPC1GYS1
SCHEMBL13866106 0.76 NPC1 (0.35) NPC1
SCHEMBL5669493 0.76 NPC1 (0.39) NPC1MAPTTLR8CASR
SCHEMBL13866250 0.75 NPC1 (0.33) NPC1
SCHEMBL13866070 0.74 NPC1 (0.36) NPC1
SCHEMBL13866102 0.73 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 1 patent. 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

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 1218/4885GYS1 918/4885MEN1 996/4885

“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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