SCHEMBL1482735

SCHEMBL1482735

COC(=O)c1cccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.49
MRGPRX4 Q96LA9 6/20 0.46
VDR P11473 2/20 0.43
PTGER4 P35408 1/20 0.39
ALOX5 P09917 2/20 0.39
GYS1 P13807 1/20 0.38
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1482082 0.92 NR1H4 (0.51) NR1H4VDRPTGER4ALOX5DRD2
SCHEMBL1482456 0.92 MRGPRX4 (0.49) NR1H4MRGPRX4VDR
SCHEMBL1482458 0.88 PTGER1 (0.43) NR1H4MRGPRX4DRD2TBXA2RTHRB
SCHEMBL1482477 0.86 NR1H4 (0.49) NR1H4VDRPTGER4ALOX5DRD2
SCHEMBL1482639 0.86 NR1H4 (0.49) NR1H4VDRALOX5
SCHEMBL1483014 0.85 NR1H4 (0.51) NR1H4MRGPRX4VDRALOX5
SCHEMBL1483074 0.84 NR1H4 (0.49) NR1H4VDRALOX5
SCHEMBL1482797 0.83 MRGPRX4 (0.43) NR1H4MRGPRX4VDRALOX5CD274
SCHEMBL1483039 0.83 NR1H4 (0.49) NR1H4VDRALOX5
SCHEMBL1482376 0.82 DRD2 (0.47) NR1H4DRD2TBXA2R

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 776/4885MRGPRX4 650/4885VDR 1436/4885

“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.