SCHEMBL1482669

SCHEMBL1482669

N#Cc1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.41
ALOX5 P09917 2/20 0.38
SLC6A4 P31645 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
CNR2 P34972 3/20 0.35
MCHR1 Q99705 1/20 0.35
AR P10275 3/20 0.34
VDR P11473 1/20 0.34
GLP1R P43220 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL1482050 0.92 NR1H4 (0.44) NR1H4ALOX5SLC6A4HTR2AHTR2C
SCHEMBL1482276 0.91 NR1H4 (0.43) NR1H4ALOX5SLC6A4HTR2AHTR2C
SCHEMBL1482189 0.89 NR1H4 (0.42) NR1H4ALOX5SLC6A4HTR2AHTR2C
SCHEMBL1482444 0.87 NR1H4 (0.45) NR1H4ALOX5SLC6A4HTR2AHTR2C
SCHEMBL1482694 0.86 NR1H4 (0.37) NR1H4SLC6A4HTR2AHTR2CGLP1R
SCHEMBL1482797 0.85 MRGPRX4 (0.43) NR1H4ALOX5SLC6A4CNR2VDR
SCHEMBL1482279 0.84 GLP1R (0.42) NR1H4ALOX5CNR2GLP1R
SCHEMBL1482337 0.83 GLP1R (0.40) NR1H4ALOX5SLC6A4HTR2AHTR2C
SCHEMBL1484290 0.83 NR1H4 (0.46) NR1H4ALOX5SLC6A4HTR2AHTR2C
SCHEMBL1482661 0.82 NR1H4 (0.44) NR1H4ALOX5SLC6A4HTR2AHTR2C

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 NR1H4 776/4885ALOX5 3919/4885SLC6A4 2832/4885

“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.