SCHEMBL5952895

SCHEMBL5952895

Cc1cc2nc(C(=O)C=C(SCc3cccs3)SCc3cccs3)n(COCC[Si](C)(C)C)c2cc1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
HTT P42858 3/20 0.33
NPC1 O15118 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE10A Q9Y233 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 4/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 3/20 0.31
LMNA P02545 4/20 0.31
GBA1 P04062 1/20 0.31
MAPT P10636 1/20 0.31
UBE2N P61088 1/20 0.31
TP53 P04637 2/20 0.31
PYGM P11217 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5952617 0.84 MAPT (0.37) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13373949 0.82 NPC1 (0.37) HTTNPC1MEN1KMT2AKDM4E
SCHEMBL6666918 0.77 NPC1 (0.36) HTTNPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5952355 0.75 MAPT (0.40) HTTNPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5952285 0.73 METAP2 (0.34) TAAR1NPC1PDE10ASMN1; SMN2ALDH1A1
SCHEMBL5951878 0.67 NPC1 (0.36) HTTNPC1MEN1KMT2AKDM4E
SCHEMBL13373954 0.67 GAA (0.33) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6666914 0.64 KCNH2 (0.37) HTTNPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5951467 0.64 NPC1 (0.41) NPC1KMT2ARAB9AKDM4EMAPT
SCHEMBL5951643 0.63 NPC1 (0.36) 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 4 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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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 (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 TAAR1 4742/4885HTT 4828/4885NPC1 3302/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TAAR1 4354/4885HTT 4860/4885NPC1 2551/4885

“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.