SCHEMBL5951878

SCHEMBL5951878

CC(=O)c1nc2cc(C)c(Cl)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCR3 P49682 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOS1 Q07889 2/20 0.33
KMO O15229 1/20 0.33
POLB P06746 1/20 0.32
F11 P03951 1/20 0.32
PTGER4 P35408 1/20 0.31
DCTPP1 Q9H773 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
SCHEMBL5952355 0.91 MAPT (0.40) NPC1MAPTKDM4EHSD17B10MEN1
SCHEMBL5952204 0.79 NPC1 (0.42) NPC1MAPTKDM4EHSD17B10POLB
SCHEMBL5953130 0.77 TDP1 (0.44) NPC1KDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL6666918 0.77 NPC1 (0.36) NPC1MAPTKDM4EMEN1USP2
SCHEMBL5953265 0.77 KDM4E (0.55) NPC1KDM4EHSD17B10CXCR3HTT
SCHEMBL13373954 0.77 GAA (0.33) MAPTKDM4EHSD17B10MEN1USP2
SCHEMBL5951634 0.76 PTGDR2 (0.41) NPC1KDM4EHSD17B10MEN1USP2
SCHEMBL13373949 0.75 NPC1 (0.37) NPC1MAPTKDM4EMEN1USP2
SCHEMBL5952186 0.74 NPC1 (0.42) NPC1MAPTKDM4EHSD17B10CXCR3
SCHEMBL1939812 0.74 DCTPP1 (0.39) NPC1MAPTKDM4EMTNR1AMTNR1B

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 NPC1 3302/4885MAPT 3479/4885KDM4E 522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885MAPT 4186/4885KDM4E 645/4885

“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.