SCHEMBL5116463

SCHEMBL5116463

CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1)O2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
RIPK1 Q13546 1/20 0.36
BRD4 O60885 12/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
SLC8A1 P32418 4/20 0.35
SCD5 Q86SK9 1/20 0.35

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
SCHEMBL4664655 1.00 RAB9A (0.36) RAB9ARIPK1BRD4ATP4AATP4B
SCHEMBL4663231 0.91 LIPG (0.39) RAB9ARIPK1BRD4SLC8A1
SCHEMBL4663178 0.90 DHODH (0.36) RAB9AATP4AATP4BSLC8A1
SCHEMBL6020045 0.90 DHODH (0.36) RAB9AATP4AATP4BSLC8A1
SCHEMBL6019450 0.90 DHODH (0.36) RAB9AATP4AATP4BSLC8A1
SCHEMBL4965120 0.89 BRD4 (0.35) BRD4SLC8A1
SCHEMBL5511615 0.89 ATP4A (0.33) RAB9AATP4AATP4B
SCHEMBL5506543 0.88 RAB9A (0.35) RAB9AATP4AATP4BSLC8A1
SCHEMBL4666543 0.88 RAB9A (0.35) RAB9AATP4AATP4BSLC8A1
SCHEMBL5506550 0.88 RAB9A (0.35) RAB9AATP4AATP4BSLC8A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US claimed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US claimed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
EP-1863820-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES Nycomed GmbH (DE) 2007-12-12 EP disclosed
WO-2006100255-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES NYCOMED GMBH (DE) 2006-09-28 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR RAB9A 4475/4885RIPK1 4446/4885BRD4 85/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 RAB9A 2427/4885RIPK1 4483/4885BRD4 366/4885

“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.