SCHEMBL1482155

SCHEMBL1482155

Clc1ccc(-c2nc3ccccc3n2CC2CCCCC2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
PRKACA P17612 2/20 0.47
RPS6KB1 P23443 2/20 0.47
GSK3B P49841 2/20 0.47
ROCK1 Q13464 2/20 0.47
NPSR1 Q6W5P4 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BRD4 O60885 5/20 0.42
BAZ2A Q9UIF9 2/20 0.42
PDE6D O43924 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1482462 0.88 ALOX5 (0.53) ALOX5PRKACARPS6KB1GSK3BROCK1
SCHEMBL1482899 0.86 PRKACA (0.53) ALOX5PRKACARPS6KB1GSK3BROCK1
SCHEMBL1482651 0.85 NR1H4 (0.53) ALOX5BRD4MEN1CYP2D6CYP2C9
SCHEMBL1482888 0.84 ALOX5 (0.52) ALOX5PRKACARPS6KB1GSK3BROCK1
SCHEMBL1577569 0.80 ALOX5 (0.43) ALOX5BRD4
SCHEMBL1483068 0.78 ALOX5 (0.44) ALOX5PRKACARPS6KB1GSK3BROCK1
SCHEMBL1577841 0.78 PTGER4 (0.44) ALOX5PRKACARPS6KB1GSK3BROCK1
SCHEMBL1577839 0.77 ALOX5 (0.45) ALOX5NPSR1KDM4EALDH1A1HSD17B10
SCHEMBL1482352 0.77 ALOX5 (0.43) ALOX5PRKACARPS6KB1GSK3BROCK1
SCHEMBL1482726 0.76 PTGER4 (0.47) ALOX5HDAC3HDAC1HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 ALOX5 3919/4885PRKACA 2884/4885RPS6KB1 478/4885

“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.