SCHEMBL4663231

SCHEMBL4663231

Cc1nc2c3c(c(C(=O)NC4CC4)cc2n1C)CCC(c1ccccc1)O3

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
SLC8A1 P32418 1/20 0.38
RAB9A P51151 3/20 0.37
BRD4 O60885 2/20 0.36
RIPK1 Q13546 1/20 0.36
TNKS O95271 3/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
TNKS2 Q9H2K2 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 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 0.91 RAB9A (0.36) SLC8A1RAB9ABRD4RIPK1
SCHEMBL5116463 0.91 RAB9A (0.36) SLC8A1RAB9ABRD4RIPK1
SCHEMBL5511930 0.90 ATP4A (0.33) LIPGSLC8A1RAB9A
SCHEMBL4964116 0.89 RAB9A (0.36) SLC8A1RAB9ACNR1CNR2RXFP1
SCHEMBL6019450 0.88 DHODH (0.36) SLC8A1RAB9A
SCHEMBL6020045 0.88 DHODH (0.36) SLC8A1RAB9A
SCHEMBL4663178 0.88 DHODH (0.36) SLC8A1RAB9A
SCHEMBL4666556 0.88 SLC8A1 (0.43) SLC8A1RAB9AMAPK1
SCHEMBL5506543 0.87 RAB9A (0.35) SLC8A1RAB9A
SCHEMBL4666543 0.87 RAB9A (0.35) SLC8A1RAB9A

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-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US claimed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US 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-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 (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 LIPG 4515/4885SLC8A1 3053/4885RAB9A 4475/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI LIPG 1760/4885SLC8A1 3552/4885RAB9A 2004/4885

“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.