SCHEMBL13015575

SCHEMBL13015575

Cn1c(=O)n(COCC[Si](C)(C)C)c2cccc(CO)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ CXCR3 P49682 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CMA1 P23946 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32

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
SCHEMBL31276238 0.85 NPC1 (0.43) NPC1TSHRLMNAHTTALDH1A1
SCHEMBL13015574 0.83 NPC1 (0.37) NPC1TSHRALDH1A1MEN1KMT2A
SCHEMBL13015496 0.83 NPC1 (0.41) NPC1TSHRLMNAMAPK1ALDH1A1
SCHEMBL29502401 0.83 NPC1 (0.41) NPC1TSHRLMNAMAPK1ALDH1A1
SCHEMBL13015577 0.82 NPC1 (0.43) NPC1LMNAHTTMAPT
SCHEMBL13015573 0.82 ALDH1A1 (0.39) NPC1TSHRKDM4EMAPK1HTT
SCHEMBL13015576 0.81 NPC1 (0.42) NPC1TSHRKDM4ELMNAHTT
SCHEMBL31211967 0.79 NPC1 (0.48) NPC1TSHRLMNAALDH1A1MEN1
SCHEMBL25338294 0.79 NPC1 (0.37) NPC1
SCHEMBL25972064 0.79 NPC1 (0.37) 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-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 — — US disclosed
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 — — US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 — — 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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 NPC1 1428/4885CXCR3 1353/4885TSHR 2751/4885

“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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