SCHEMBL1482764

SCHEMBL1482764

O=C(O)COc1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2Cc2cccc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
FFAR1 O14842 3/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 1/20 0.40
PPARG P37231 2/20 0.39
PLA2G2A P14555 3/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
KMT2A Q03164 2/20 0.39
RCE1 Q9Y256 1/20 0.39
BCL2 P10415 1/20 0.38
BID P55957 1/20 0.38
MCL1 Q07820 1/20 0.38
GID4 Q8IVV7 1/20 0.38
PTGER1 P34995 1/20 0.38
PLA2G1B P04054 1/20 0.38
TSHR P16473 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 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
SCHEMBL1482743 0.96 KMT2A (0.42) FFAR1PPARDPPARAPLA2G2ATP53
SCHEMBL1482559 0.91 TSHR (0.40) S1PR1S1PR5PLA2G2AKMT2ARCE1
SCHEMBL1482099 0.89 PTGER1 (0.46) PTGER1RXRARXRBRXRGCCR2
SCHEMBL1482885 0.88 KDM4E (0.42) PLA2G2ATP53KMT2APTGER1TSHR
SCHEMBL1482947 0.87 S1PR1 (0.40) S1PR1S1PR5PPARGPLA2G2AKMT2A
SCHEMBL1482809 0.85 DRD2 (0.49) PPARGTP53KMT2ARCE1PTGER1
SCHEMBL1483171 0.85 PTGER1 (0.48) KMT2APTGER1RXRARXRB
SCHEMBL1482733 0.84 NR1H4 (0.43) S1PR1FFAR1PPARDPPARAPPARG
SCHEMBL1484187 0.83 NR1H4 (0.49) FFAR1PPARDPTGDR2
SCHEMBL1482636 0.82 DRD2 (0.52) TP53KMT2APTGER1

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 S1PR1 2227/4885S1PR5 2411/4885FFAR1 1795/4885

“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.