SCHEMBL5951923

SCHEMBL5951923

CSc1cc(-c2nc3ccccc3n2COCC[Si](C)(C)C)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 3/20 0.37
LMNA P02545 3/20 0.37
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
CASR P41180 1/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.34
RPS6KA5 O75582 1/20 0.34
PRKACA P17612 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
SCHEMBL5952313 0.74 KDM4E (0.43) KDM4EALDH1A1HSD17B10NPC1HPGD
SCHEMBL23673271 0.73 KDM4E (0.44) KDM4EALDH1A1HSD17B10NPC1HPGD
SCHEMBL1160327 0.73 RPS6KB1 (0.67) KDM4EALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL23673258 0.72 KDM4E (0.46) KDM4EALDH1A1HSD17B10NPC1HPGD
SCHEMBL1192213 0.71 LMNA (0.47) KDM4EALDH1A1HSD17B10NPC1MAPK1
SCHEMBL30638944 0.71 HTT (0.56) KDM4EALDH1A1NPC1HPGDTP53
SCHEMBL5252051 0.71 NPC1 (0.42) KDM4EALDH1A1HSD17B10NPC1HPGD
SCHEMBL6259455 0.71 NPC1 (0.42) KDM4EALDH1A1HSD17B10NPC1TP53
SCHEMBL29520372 0.71 NPC1 (0.42) KDM4EALDH1A1HSD17B10NPC1TP53
SCHEMBL22095110 0.70 TSHR (0.51) KDM4EALDH1A1NPC1MAPK1TP53

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 5 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
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 KDM4E 522/4885ALDH1A1 1389/4885HSD17B10 2769/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDM4E 645/4885ALDH1A1 862/4885HSD17B10 2973/4885

“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.