SCHEMBL4664584

SCHEMBL4664584

Cc1nc2c(OCc3ccccc3)cc(C(=O)N(C)C)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
DGAT1 O75907 3/20 0.39
NPC1 O15118 2/20 0.38
LRRK2 Q5S007 1/20 0.37
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 1/20 0.34
FFAR4 Q5NUL3 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
Dimethylamine SCHEMBL4774301 0.88 TOP2A (0.40) DGAT1NPC1
SCHEMBL4666497 0.87 BRD4 (0.47) BRD4NPC1LRRK2F2F10
SCHEMBL30501981 0.85 BRD4 (0.48) BRD4NPC1LRRK2F2F10
SCHEMBL4666540 0.82 DGAT1 (0.37) BRD4DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL4664611 0.81 NPC1 (0.37) BRD4NPC1F2F10
SCHEMBL4662880 0.81 BRD4 (0.50) BRD4NPC1LRRK2CYP11B1CYP11B2
SCHEMBL3267227 0.75 BRD4 (0.45) BRD4NPC1LRRK2CYP11B1CYP11B2
SCHEMBL1942215 0.75 BRD4 (0.44) BRD4LRRK2HPGDSMN1; SMN2HSD17B10
SCHEMBL4664638 0.74 F11 (0.37) BRD4DGAT1NPC1F2F10
SCHEMBL4662927 0.73 BRD4 (0.48) BRD4NPC1LRRK2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
EP-1863820-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES Nycomed GmbH (DE) 2007-12-12 EP disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
WO-2006100255-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES NYCOMED GMBH (DE) 2006-09-28 WO disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 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 (3 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR BRD4 85/4885DGAT1 4076/4885NPC1 2772/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI BRD4 1068/4885DGAT1 3226/4885NPC1 2631/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 BRD4 366/4885DGAT1 3401/4885NPC1 1421/4885

“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.