SCHEMBL1042833

SCHEMBL1042833

Cc1ccc(C(=O)N(CCCN2C(=O)c3ccccc3C2=O)C(c2nc3cc(C)ccc3n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.59
MAP1LC3B Q9GZQ8 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
KCNH2 Q12809 1/20 0.59
KIF23 Q02241 1/20 0.54
PDE6D O43924 2/20 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
SCHEMBL12391814 1.00 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3239396 0.94 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13494350 0.94 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13494336 0.88 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3235554 0.88 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1042594 0.88 KIF11 (0.72) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1042081 0.88 KIF11 (0.72) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5120803 0.85 KIF11 (0.62) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1041439 0.82 KIF11 (0.81) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL3494904 0.82 KIF11 (0.81) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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-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-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 KIF11 2578/4885MAP1LC3B 2958/4885CYP3A4 7/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC KIF11 2578/4885MAP1LC3B 2958/4885CYP3A4 7/4885

“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.