SCHEMBL5951643

SCHEMBL5951643

Cc1ccc2c(c1)nc(C(=O)C(=C(SCc1ccccc1)SCc1ccccc1)C(C)C)n2COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
P2RX3 P56373 2/20 0.35
F11 P03951 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
NLRP3 Q96P20 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TRPC5 Q9UL62 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 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
SCHEMBL5953236 0.77 NPC1 (0.39) NPC1P2RX3NLRP3MEN1KMT2A
SCHEMBL5951467 0.75 NPC1 (0.41) NPC1P2RX3NLRP3KMT2AMAPT
SCHEMBL5952387 0.72 TLR8 (0.42) NPC1P2RX3NLRP3MEN1KMT2A
SCHEMBL5974075 0.71 POLB (0.47) NPC1F11POLBMAPTL3MBTL1
SCHEMBL19857729 0.68 TSHR (0.44) NPC1P2RX3NLRP3MEN1KMT2A
SCHEMBL19857776 0.67 NPC1 (0.38) NPC1P2RX3NLRP3TRPC5MAPT
SCHEMBL5953265 0.67 KDM4E (0.55) NPC1POLBL3MBTL1
SCHEMBL22075813 0.66 NPC1 (0.44) NPC1POLBMEN1KMT2AMAPT
SCHEMBL5952204 0.66 NPC1 (0.42) NPC1PTGDR2POLBMAPT
SCHEMBL5952617 0.66 MAPT (0.37) NPC1MEN1KMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 NPC1 3302/4885P2RX3 890/4885F11 1036/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885P2RX3 1025/4885F11 331/4885

“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.