SCHEMBL4666540

SCHEMBL4666540

Cc1nc2c(OCc3ccccc3)cc(Br)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.37
SLC6A4 P31645 1/20 0.36
GCK P35557 2/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 3/20 0.35
CYP1A2 P05177 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
CSF1R P07333 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL4664857 0.85 GCK (0.40) SLC6A4GCKSTAT3HTTSMN1; SMN2
Dimethylamine SCHEMBL4774301 0.83 TOP2A (0.40) DGAT1NPC1MEN1KMT2A
SCHEMBL18372654 0.82 TNF (0.47) GCKSTAT3HTTSMN1; SMN2PTGER1
SCHEMBL30501926 0.82 TNF (0.47) GCKSTAT3HTTSMN1; SMN2PTGER1
SCHEMBL4664584 0.82 BRD4 (0.43) DGAT1SMN1; SMN2NPC1RAB9ABRD4
SCHEMBL4662895 0.78 MEN1 (0.46) SLC6A4GCKSTAT3HTTSMN1; SMN2
SCHEMBL21685223 0.76 DGAT1 (0.36) DGAT1STAT3HTTSMN1; SMN2CSF1R
SCHEMBL5901297 0.75 ALDH1A1 (0.42) ATP4AATP4B
SCHEMBL2144844 0.72 GALR3 (0.40) DGAT1HTTPOLBNPC1BRD4
SCHEMBL29835911 0.72 GALR3 (0.40) DGAT1HTTPOLBNPC1BRD4

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 DGAT1 4076/4885SLC6A4 2893/4885GCK 332/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI DGAT1 3226/4885SLC6A4 1935/4885GCK 106/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 DGAT1 3401/4885SLC6A4 3334/4885GCK 1980/4885

“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.