SCHEMBL13866117

SCHEMBL13866117

C[Si](C)(C)CCOCn1c(=O)c(-c2cccc(C(=O)NN)c2F)nc2c(N)cccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ FBP1 P09467 12/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ CFTR P13569 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ TLR8 Q9NR97 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
SCHEMBL13866116 0.91 NPC1 (0.41) NPC1FBP1MAPTMAP4K1CFTR
SCHEMBL13866135 0.82 NPC1 (0.39) NPC1MAPTMAP4K1CFTR
SCHEMBL13865869 0.79 ALDH1A1 (0.38) NPC1MAPTMAP4K1
SCHEMBL5669071 0.79 NPC1 (0.38) NPC1MAPT
SCHEMBL13866115 0.78 CFTR (0.39) NPC1MAPTCFTR
SCHEMBL5667295 0.78 CFTR (0.43) NPC1MAPTCFTR
SCHEMBL5668182 0.78 NPC1 (0.43) NPC1MAPTCFTR
SCHEMBL13866137 0.77 ALDH1A1 (0.36) NPC1MAPTMAP4K1
SCHEMBL13866118 0.76 NPC1 (0.44) NPC1FBP1MAPTTLR8
SCHEMBL5669493 0.76 NPC1 (0.39) NPC1MAPTTLR8

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
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
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 1218/4885FBP1 268/4885MAPT 4476/4885

“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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