SCHEMBL13866115

SCHEMBL13866115

COC(=O)c1cccc(-c2nc3c([N+](=O)[O-])cccc3n(COCC[Si](C)(C)C)c2=O)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ GSK3B P49841 1/20 0.31

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
SCHEMBL13866135 0.88 NPC1 (0.39) CFTRNPC1ALDH1A1MAPTKDM4E
SCHEMBL13866116 0.87 NPC1 (0.41) CFTRNPC1ALDH1A1MAPTKDM4E
SCHEMBL13866114 0.86 CFTR (0.38) CFTRNPC1DCTPP1MAPTHTT
SCHEMBL13865869 0.85 ALDH1A1 (0.38) NPC1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5667295 0.84 CFTR (0.43) CFTRNPC1ALDH1A1MAPTKDM4E
SCHEMBL13866137 0.82 ALDH1A1 (0.36) NPC1ALDH1A1MAPTKDM4ELMNA
SCHEMBL13866138 0.81 NPC1 (0.35) NPC1KDM4ESMN1; SMN2HTT
SCHEMBL13870973 0.81 NPC1 (0.37) NPC1ALDH1A1MAPT
SCHEMBL13866139 0.79 NPC1 (0.33) NPC1KDM4E
SCHEMBL13866140 0.79 NPC1 (0.34) 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 CFTR 1781/4885NPC1 1218/4885DCTPP1 4026/4885

“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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