SCHEMBL1482796

SCHEMBL1482796

Clc1ccc(-c2nc3ccccc3n2CC2CCCCC2)c(CCc2ccc(-c3nnn[nH]3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
NR1H4 Q96RI1 1/20 0.39
KCNH2 Q12809 2/20 0.37
PDE6D O43924 1/20 0.37
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1482522 0.90 KCNH2 (0.40) ALOX5KCNH2PDE6DPRKACARPS6KB1
SCHEMBL1482952 0.89 NR1H4 (0.51) ALOX5NR1H4KCNH2KMT2AMEN1
SCHEMBL1482612 0.82 BRD4 (0.38) KCNH2PDE6DPRKACARPS6KB1GSK3B
SCHEMBL1483070 0.82 RXRA (0.39) KCNH2PDE6DALDH1A1KMT2ABRD4
SCHEMBL1482352 0.82 ALOX5 (0.43) ALOX5KCNH2PRKACARPS6KB1GSK3B
SCHEMBL1484203 0.82 NR1H4 (0.43) ALOX5NR1H4KCNH2PDE6DKMT2A
SCHEMBL1482726 0.81 PTGER4 (0.47) ALOX5NR1H4DRD2
SCHEMBL1484024 0.81 PRKACA (0.35) KCNH2PDE6DPRKACARPS6KB1GSK3B
SCHEMBL1482632 0.80 NR1H4 (0.42) ALOX5NR1H4KCNH2PDE6DKMT2A
SCHEMBL12717886 0.78 NR1H4 (0.55) ALOX5NR1H4KCNH2KMT2AMEN1

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
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP claimed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO claimed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US claimed
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
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
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
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 3919/4885NR1H4 776/4885KCNH2 839/4885

“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.