SCHEMBL5953130

SCHEMBL5953130

COc1ccc2c(c1)nc(C(C)=O)n2COCC[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
HTT P42858 1/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
RPS6KA5 O75582 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 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
SCHEMBL5953013 0.89 TDP1 (0.45) TDP1NPC1ALDH1A1POLBHTT
SCHEMBL5952204 0.86 NPC1 (0.42) NPC1POLBRPS6KA5KDM4EHSD17B10
SCHEMBL5951634 0.82 PTGDR2 (0.41) TDP1NPC1POLBKDM4EHSD17B10
SCHEMBL5953265 0.82 KDM4E (0.55) NPC1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL5952355 0.81 MAPT (0.40) TDP1NPC1ALDH1A1POLBHTT
SCHEMBL23497756 0.79 TDP1 (0.46) TDP1NPC1ALDH1A1POLBHTT
SCHEMBL5951878 0.77 NPC1 (0.36) TDP1NPC1POLBHTTMTNR1A
SCHEMBL5951467 0.76 NPC1 (0.41) NPC1KDM4E
SCHEMBL1543013 0.76 TDP1 (0.45) TDP1NPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL23497532 0.76 TDP1 (0.43) TDP1ALDH1A1POLBHTTMTNR1A

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 TDP1 2680/4885NPC1 3302/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TDP1 1498/4885NPC1 2551/4885ALDH1A1 862/4885

“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.