SCHEMBL5667444

SCHEMBL5667444

C[Si](C)(C)CCOCn1c(=O)c(-c2cccc(C(=O)NC3CCCC3)c2SCc2ccccc2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CNR1 P21554 3/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6131155 0.87 MAPT (0.41) MAPT
SCHEMBL5669025 0.86 CFTR (0.45) MAPTL3MBTL1
SCHEMBL5668296 0.85 CNR2 (0.40) LMNACNR1CNR2GAAMEN1
SCHEMBL5667450 0.82 MAPT (0.36) CNR1CNR2MAPTHTT
SCHEMBL6131156 0.75 NPC1 (0.42) MAPT
SCHEMBL13865860 0.75 NPC1 (0.37) —
SCHEMBL13865858 0.75 ADORA2A (0.35) LMNAMAPTMEN1KMT2AHTT
SCHEMBL5669030 0.75 CFTR (0.47) LMNAMAPT
SCHEMBL5668182 0.74 NPC1 (0.43) MAPT
SCHEMBL5667295 0.72 CFTR (0.43) LMNAMAPT

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-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 — — US disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 — — 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-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 LMNA 2235/4885TP53 252/4885CNR1 811/4885

“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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