SCHEMBL5952313

SCHEMBL5952313

CCOc1cc(-c2nc3ccccc3n2COCC[Si](C)(C)C)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.43
HSD17B10 Q99714 6/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 5/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MYC P01106 1/20 0.39
GAA P10253 2/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL1160327 0.75 RPS6KB1 (0.67) KDM4EALDH1A1TP53MAPK1MAPT
SCHEMBL5951923 0.74 KDM4E (0.39) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL30638944 0.74 HTT (0.56) KDM4EALDH1A1HPGDNPC1TP53
SCHEMBL23673258 0.74 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL22095110 0.73 TSHR (0.51) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL23673271 0.73 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL5952906 0.73 TDP1 (0.43) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL5953031 0.72 RPS6KA5 (0.36) NPC1HTTTSHRRPS6KA5
SCHEMBL5953205 0.72 LMNA (0.32) KDM4EALDH1A1TP53MAPTLMNA
SCHEMBL5252051 0.71 NPC1 (0.42) KDM4EHSD17B10ALDH1A1HPGDNPC1

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 7 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-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 KDM4E 522/4885HSD17B10 2769/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDM4E 645/4885HSD17B10 2973/4885ALDH1A1 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.