SCHEMBL13866138

SCHEMBL13866138

C=CCc1ccc2c(nc(-c3cccc(C(=O)OC)c3F)c(=O)n2COCC[Si](C)(C)C)c1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ MAP4K1 Q92918 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
SCHEMBL13866139 0.90 NPC1 (0.33) NPC1KDM4E
SCHEMBL13866135 0.85 NPC1 (0.39) NPC1KDM4EMEN1KMT2AMAP4K1
SCHEMBL13866137 0.84 ALDH1A1 (0.36) NPC1KDM4EMEN1KMT2AMAP4K1
SCHEMBL13866116 0.82 NPC1 (0.41) NPC1KDM4EMAP4K1
SCHEMBL13866115 0.81 CFTR (0.39) NPC1KDM4EHTTSMN1; SMN2
SCHEMBL13866140 0.81 NPC1 (0.34) NPC1
SCHEMBL13865869 0.80 ALDH1A1 (0.38) NPC1KDM4EHTTSMN1; SMN2MAP4K1
SCHEMBL13870973 0.80 NPC1 (0.37) NPC1
SCHEMBL5667295 0.80 CFTR (0.43) NPC1KDM4E
SCHEMBL13866141 0.77 L3MBTL1 (0.30) 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 1218/4885KDM4E 2867/4885MEN1 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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