SCHEMBL5951467

SCHEMBL5951467

CCC(=O)c1nc2cc(C)ccc2n1COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
NLRP3 Q96P20 1/20 0.39
P2RX3 P56373 7/20 0.38
TLR8 Q9NR97 1/20 0.38
RAB9A P51151 1/20 0.37
P2RX2 Q9UBL9 2/20 0.37
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL5952387 0.89 TLR8 (0.42) NPC1NLRP3P2RX3TLR8RAB9A
SCHEMBL5953236 0.88 NPC1 (0.39) NPC1NLRP3P2RX3TLR8RAB9A
SCHEMBL5953013 0.88 TDP1 (0.45) NPC1NLRP3P2RX3RAB9AMAPT
SCHEMBL19857729 0.80 TSHR (0.44) NPC1NLRP3P2RX3TLR8RAB9A
SCHEMBL19857776 0.79 NPC1 (0.38) NPC1NLRP3P2RX3TLR8RAB9A
SCHEMBL16792644 0.78 ADORA2B (0.42) NPC1RAB9ASIRT2SIRT1KMT2A
SCHEMBL5952204 0.78 NPC1 (0.42) NPC1KDM4EMAPT
SCHEMBL16792553 0.76 NPC1 (0.38) NPC1MAPTPPARG
SCHEMBL5953130 0.76 TDP1 (0.44) NPC1KDM4E
SCHEMBL5951643 0.75 NPC1 (0.36) NPC1NLRP3P2RX3KMT2AMAPT

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 3302/4885NLRP3 3307/4885P2RX3 890/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885NLRP3 3875/4885P2RX3 1025/4885

“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.