SCHEMBL1482645

SCHEMBL1482645

O=C(O)Cc1ccc(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.48
PTGDR2 Q9Y5Y4 6/20 0.42
KCNH2 Q12809 1/20 0.40
PTGER1 P34995 3/20 0.40
TBXA2R P21731 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 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
SCHEMBL1482284 0.92 NR1H4 (0.49) NR1H4KCNH2PTGER1TBXA2RTHRA
SCHEMBL1482104 0.92 PTGER1 (0.45) NR1H4KCNH2PTGER1
SCHEMBL1482644 0.91 NR1H4 (0.43) NR1H4KCNH2PTGER1TBXA2R
SCHEMBL1482733 0.91 NR1H4 (0.43) NR1H4KCNH2PTGER1THRATHRB
SCHEMBL1482610 0.89 KMT2A (0.43) NR1H4KCNH2PTGER1
SCHEMBL1482713 0.88 NR1H4 (0.46) NR1H4TBXA2R
SCHEMBL1482376 0.88 DRD2 (0.47) NR1H4KCNH2PTGER1TBXA2R
SCHEMBL1483039 0.88 NR1H4 (0.49) NR1H4PTGDR2KCNH2PTGER1
SCHEMBL1483174 0.87 PTGER1 (0.50) NR1H4KCNH2PTGER1
SCHEMBL1483423 0.86 NR1H4 (0.42) NR1H4KCNH2PTGER1

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 9 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
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
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 776/4885PTGDR2 1459/4885KCNH2 839/4885

“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.