SCHEMBL1482406

SCHEMBL1482406

COC(=O)c1ccccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.48
PTGER4 P35408 6/20 0.45
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
P2RX3 P56373 3/20 0.41
P2RX2 Q9UBL9 1/20 0.41
ALOX5AP P20292 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
VDR P11473 1/20 0.40
PDE7A Q13946 2/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK8 P45983 1/20 0.39
PDE4B Q07343 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL3566144 0.84 KMT2A (0.40) NR1H4ALOX5APKMT2AMEN1PDE7A
SCHEMBL1577534 0.84 PTGER4 (0.43) NR1H4PTGER4P2RX3KMT2APDE7A
SCHEMBL1482402 0.83 LMNA (0.45) NR1H4PTGER4KMT2AMEN1VDR
SCHEMBL1482656 0.81 NR1H4 (0.45) NR1H4PTGER4HCRTR1HCRTR2KMT2A
SCHEMBL1482634 0.80 NR1H4 (0.42) NR1H4PTGER4P2RX3P2RX2KMT2A
SCHEMBL1482720 0.79 NR1H4 (0.43) NR1H4PTGER4HCRTR1HCRTR2KMT2A
SCHEMBL1482666 0.79 NR1H4 (0.50) NR1H4PTGER4HCRTR1HCRTR2ALDH1A1
SCHEMBL3569857 0.78 MAPT (0.42) NR1H4ALOX5APKMT2APDE7APDE4D
SCHEMBL1482027 0.77 NR1H4 (0.43) NR1H4PTGER4KMT2AMEN1VDR
SCHEMBL3566146 0.77 NR1H4 (0.64) NR1H4

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 776/4885PTGER4 796/4885HCRTR1 2957/4885

“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.