SCHEMBL1482785

SCHEMBL1482785

Fc1cc2nc(-c3ccccc3OCC3CCCC3)n(Cc3ccc(-c4nnn[nH]4)cc3F)c2cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
FEN1 P39748 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4A P27815 4/20 0.32
DCPS Q96C86 2/20 0.32
CYP2D6 P10635 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
DGAT1 O75907 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE5A O76074 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL1482786 0.90 NR1H4 (0.43) NR1H4CYP11B2CYP11B1CYP2D6
SCHEMBL1482822 0.90 NR1H4 (0.44) NR1H4CYP11B2CYP11B1CYP2D6
SCHEMBL1482638 0.89 NR1H4 (0.41) NR1H4CYP11B2CYP11B1NPSR1CYP2D6
SCHEMBL1482292 0.87 NR1H4 (0.42) KCNN4NR1H4KMT2A
SCHEMBL1484291 0.87 NR1H4 (0.39) NR1H4CYP11B2CYP11B1NPSR1CYP2D6
SCHEMBL1482618 0.85 KMT2A (0.40) NR1H4KDM4ELMNAHTTNPSR1
SCHEMBL1482896 0.84 NR1H4 (0.38) NR1H4CYP11B2CYP11B1
SCHEMBL1482615 0.82 NR1H4 (0.43) NR1H4CYP11B2CYP11B1CYP2D6
SCHEMBL1482995 0.81 KCNN4 (0.37) KCNN4CYP11B2CYP11B1PDE10AKDM4E
SCHEMBL1484025 0.81 NR1H4 (0.38) NR1H4CYP2D6

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 13 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 claimed
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
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
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 KCNN4 1390/4885NR1H4 776/4885CYP11B2 211/4885

“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.