SCHEMBL13870973

SCHEMBL13870973

COC(=O)c1cccc(-c2nc3c(O)cc(Br)cc3n(COCC[Si](C)(C)C)c2=O)c1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ DGAT1 O75907 2/20 0.33
▸ TOP2A P11388 1/20 0.32
▸ SLC6A3 Q01959 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ F11 P03951 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL13871097 0.92 NPC1 (0.38) NPC1DGAT1
SCHEMBL13866135 0.89 NPC1 (0.39) NPC1TOP2ASLC6A3MAPTTHRB
SCHEMBL13865949 0.89 NPC1 (0.35) NPC1DGAT1MAPTALDH1A1
SCHEMBL14193452 0.88 NPC1 (0.37) NPC1DGAT1
SCHEMBL13866116 0.83 NPC1 (0.41) NPC1SLC6A3MAPTALDH1A1F11
SCHEMBL5667295 0.82 CFTR (0.43) NPC1MAPTALDH1A1POLB
SCHEMBL13865869 0.81 ALDH1A1 (0.38) NPC1DGAT1SLC6A3MAPTALDH1A1
SCHEMBL13866073 0.81 NPC1 (0.36) NPC1DGAT1
SCHEMBL13866115 0.81 CFTR (0.39) NPC1MAPTALDH1A1
SCHEMBL13866138 0.80 NPC1 (0.35) 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 1218/4885DGAT1 3570/4885TOP2A 768/4885

“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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