SCHEMBL13865958

SCHEMBL13865958

C[Si](C)(C)CCOCOc1cc(Br)cc2c1nc(-c1cccc3c(=O)n(CCC#N)sc13)c(=O)n2COCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ MEN1 O00255 3/20 0.31
▸ USP2 O75604 3/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPK1 P28482 2/20 0.30
▸ CASP1 P29466 2/20 0.30
▸ CASP7 P55210 2/20 0.30
▸ HIF1A Q16665 2/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 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
SCHEMBL13865960 0.91 NPC1 (0.34) NPC1MEN1USP2CYP1A2CYP3A4
SCHEMBL13865961 0.90 NPC1 (0.36) NPC1MEN1USP2CYP1A2CYP3A4
SCHEMBL14193774 0.89 NPC1 (0.35) NPC1MEN1USP2CYP1A2CYP3A4
SCHEMBL13865957 0.89 NPC1 (0.35) NPC1MEN1USP2CYP1A2CYP3A4
SCHEMBL13865967 0.87 — —
SCHEMBL14193138 0.83 NPC1 (0.36) NPC1MEN1USP2CYP1A2CYP3A4
SCHEMBL13870888 0.82 NPC1 (0.35) NPC1MEN1USP2CYP1A2CYP3A4
SCHEMBL13865878 0.81 NPC1 (0.38) NPC1
SCHEMBL13865861 0.79 NPC1 (0.36) NPC1
SCHEMBL13865965 0.77 NPC1 (0.32) 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 3 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

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 1218/4885MEN1 996/4885USP2 3485/4885

“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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