SCHEMBL1043271

SCHEMBL1043271

Cc1ccc(NCc2ccccc2)c(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
BACE1 P56817 11/20 0.46
GLS O94925 1/20 0.45
ATM Q13315 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12391806 1.00 CTSS (0.46) CTSSCTSKBACE1GLSATM
SCHEMBL3495258 0.90 CTSS (0.51) CTSSCTSKBACE1GLSATM
SCHEMBL3235114 0.90 CTSS (0.51) CTSSCTSKBACE1GLSATM
SCHEMBL13494340 0.89 AAK1 (0.49) CTSSCTSKBACE1GLSATM
SCHEMBL3232601 0.89 AAK1 (0.49) CTSSCTSKBACE1GLSATM
SCHEMBL13941145 0.88 GLS (0.45) CTSSCTSKBACE1GLSATM
SCHEMBL4750042 0.80 CTSS (0.61) CTSSCTSKBACE1
SCHEMBL8345117 0.76 CTSS (0.51) CTSSCTSKGLSATMMEN1
SCHEMBL8344155 0.76 CTSS (0.51) CTSSCTSKGLSATMMEN1
SCHEMBL8347951 0.76 CTSS (0.51) CTSSCTSKGLSATMMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008335-B2 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-30 US disclosed
EP-2275412-A1 Indole and benzimidazole derivatives Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-19 EP disclosed
US-7662581-B1 Eg5 co-crystals NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-02-16 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
EP-1807399-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES Novartis Vaccines and Diagnostics, Inc. (US) 2007-07-18 EP disclosed
WO-2006049835-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-05-11 WO disclosed
US-20060084687-A1 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-04-20 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-20060084687-A1 Indole and benzimidazole derivatives IDO1, IDO2, AADAC CTSS 1701/4885CTSK 1471/4885BACE1 3093/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC CTSS 1701/4885CTSK 1471/4885BACE1 3093/4885

“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.