SCHEMBL5952387

SCHEMBL5952387

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NLRP3 Q96P20 1/20 0.36
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
P2RX3 P56373 4/20 0.34
SIRT2 Q8IXJ6 3/20 0.34
TP53 P04637 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
GAA P10253 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33

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
SCHEMBL5951467 0.89 NPC1 (0.41) TLR8NPC1KMT2ANLRP3RAB9A
SCHEMBL5953236 0.84 NPC1 (0.39) TLR8NPC1MEN1KMT2ANLRP3
SCHEMBL5953013 0.77 TDP1 (0.45) NPC1NLRP3RAB9AP2RX3
SCHEMBL19857729 0.76 TSHR (0.44) TLR8NPC1MEN1KMT2ANLRP3
SCHEMBL19857776 0.75 NPC1 (0.38) TLR8NPC1NLRP3RAB9AKDM4E
SCHEMBL16792644 0.74 ADORA2B (0.42) NPC1MEN1KMT2ARAB9ASIRT2
SCHEMBL5952204 0.74 NPC1 (0.42) NPC1KDM4EAGTR1AGTR2
SCHEMBL16792553 0.73 NPC1 (0.38) NPC1
SCHEMBL5953130 0.73 TDP1 (0.44) NPC1KDM4E
SCHEMBL5951643 0.72 NPC1 (0.36) NPC1MEN1KMT2ANLRP3P2RX3

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 TLR8 3801/4885NPC1 3302/4885MEN1 2639/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TLR8 4013/4885NPC1 2551/4885MEN1 1460/4885

“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.