SCHEMBL4592785

SCHEMBL4592785

Cc1ccccc1CNc1cc(C(=O)N(C)C)cc2c1nc(C)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
FYN P06241 1/20 0.44
CD38 P28907 1/20 0.42
BRD4 O60885 2/20 0.40
BRD9 Q9H8M2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KAT2B Q92831 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 2/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
ASAH1 Q13510 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4632961 0.93 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4592754 0.88 CYP3A4 (0.61) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5902197 0.88 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4593064 0.88 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901943 0.87 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL4593062 0.87 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL13983212 0.82 CYP3A4 (0.45) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901801 0.82 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901175 0.80 CYP1A2 (0.42) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901592 0.79 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6

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
EP-1910313-A1 6-THIOAMIDE SUBSTITUTED BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-16 EP disclosed
WO-2006100254-A1 6-THIOAMIDE SUBSTITUTED BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-09-28 WO disclosed
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 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 (1 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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI CYP3A4 21/4885CYP2C9 226/4885CYP1A2 248/4885

“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.