SCHEMBL1482099

SCHEMBL1482099

O=C(O)c1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2Cc2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.46
MRGPRX4 Q96LA9 4/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
RHEB Q15382 1/20 0.44
CCR2 P41597 2/20 0.42
CYP2C9 P11712 3/20 0.42
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL1483171 0.96 PTGER1 (0.48) PTGER1MRGPRX4RXRARXRBRHEB
SCHEMBL1482809 0.91 DRD2 (0.49) PTGER1MRGPRX4
SCHEMBL1482764 0.89 S1PR1 (0.41) PTGER1RXRARXRBRXRGCCR2
SCHEMBL1482636 0.87 DRD2 (0.52) PTGER1MRGPRX4
SCHEMBL1482614 0.87 RHEB (0.47) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL1482559 0.86 TSHR (0.40) PTGER1CCR2
SCHEMBL1482743 0.85 KMT2A (0.42) PTGER1RHEB
SCHEMBL1482104 0.83 PTGER1 (0.45) PTGER1RHEBCYP2C9
SCHEMBL1483014 0.83 NR1H4 (0.51) PTGER1MRGPRX4CYP2C9
SCHEMBL1484288 0.82 KMT2A (0.42) PTGER1CCR2CYP2C9

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 PTGER1 786/4885MRGPRX4 650/4885RXRA 1486/4885

“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.