SCHEMBL1482885

SCHEMBL1482885

COC(=O)COc1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PTGER1 P34995 8/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.39
S1PR3 Q99500 1/20 0.39
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
PLA2G2A P14555 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 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
SCHEMBL1482559 0.95 TSHR (0.40) KDM4EPTGER1KMT2APLA2G2ALPAR2
SCHEMBL1482743 0.92 KMT2A (0.42) KDM4EPTGER1KMT2APLA2G2ATP53
SCHEMBL1482836 0.90 CCR2 (0.41) KDM4ECNR1DRD2TBXA2RLPAR2
SCHEMBL1482764 0.88 S1PR1 (0.41) PTGER1KMT2APLA2G2ATSHRTP53
SCHEMBL1482636 0.88 DRD2 (0.52) PTGER1KMT2ACNR1S1PR3DRD2
SCHEMBL1482209 0.87 LPAR2 (0.42) KDM4EDRD2TBXA2RACSS2LPAR2
SCHEMBL1482749 0.86 P2RX3 (0.43) PTGER1CNR1
SCHEMBL1483171 0.86 PTGER1 (0.48) PTGER1KMT2A
SCHEMBL1483074 0.86 NR1H4 (0.49) CNR1PLA2G2ALPAR2
SCHEMBL1483667 0.85 KDM4E (0.39) KDM4EKMT2AS1PR3ACSS2PLA2G2A

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 KDM4E 1791/4885PTGER1 786/4885KMT2A 2176/4885

“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.