SCHEMBL1482292

SCHEMBL1482292

Fc1cc2nc(-c3ccccc3OCc3ccc(-c4nnn[nH]4)cc3F)n(CC3CCCCC3)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
PTGER4 P35408 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 2/20 0.33
VDR P11473 1/20 0.33
PDE6D O43924 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
SLC6A4 P31645 3/20 0.33
PTGER1 P34995 3/20 0.32
GLP1R P43220 1/20 0.31
GHSR Q92847 1/20 0.31
BDKRB1 P46663 1/20 0.31
KCNN4 O15554 1/20 0.31
ABCC1 P33527 1/20 0.30

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
SCHEMBL1482102 0.91 NR1H4 (0.42) NR1H4PTGER4MEN1KMT2AALOX5
SCHEMBL1482788 0.90 NR1H4 (0.50) NR1H4MEN1KMT2AALOX5VDR
SCHEMBL1482521 0.90 NR1H4 (0.49) NR1H4ALOX5VDRHTR2AHTR2C
SCHEMBL1482785 0.87 KCNN4 (0.38) NR1H4KMT2AKCNN4
SCHEMBL1482632 0.85 NR1H4 (0.42) NR1H4MEN1KMT2AALOX5VDR
SCHEMBL1482683 0.84 NR1H4 (0.47) NR1H4MEN1KMT2AALOX5VDR
SCHEMBL1484181 0.83 NR1H4 (0.43) NR1H4ALOX5GLP1R
SCHEMBL1481895 0.83 NR1H4 (0.43) NR1H4ALOX5GLP1R
SCHEMBL1484290 0.83 NR1H4 (0.46) NR1H4MEN1KMT2AALOX5VDR
SCHEMBL1482417 0.82 NR1H4 (0.42) NR1H4PTGER4MEN1KMT2AALOX5

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 NR1H4 776/4885PTGER4 796/4885MEN1 2360/4885

“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.