SCHEMBL1482809

SCHEMBL1482809

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.49
TBXA2R P21731 8/20 0.49
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX3 P56373 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 1/20 0.39
PTGER1 P34995 1/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 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
SCHEMBL1482636 0.95 DRD2 (0.52) DRD2TBXA2RMRGPRX4TP53KMT2A
SCHEMBL1482099 0.91 PTGER1 (0.46) MRGPRX4PTGER1
SCHEMBL1482559 0.88 TSHR (0.40) MAPTKMT2ARCE1PTGER1
SCHEMBL1482767 0.87 DRD2 (0.45) DRD2TBXA2RMAPTLMNAL3MBTL1
SCHEMBL1482646 0.87 DRD2 (0.53) DRD2TBXA2RP2RX3TP53KMT2A
SCHEMBL1483171 0.87 PTGER1 (0.48) MRGPRX4KMT2APTGER1
SCHEMBL1483030 0.86 DRD2 (0.47) DRD2TBXA2RMRGPRX4MAPTP2RX3
SCHEMBL1482764 0.85 S1PR1 (0.41) TP53PPARGKMT2ARCE1PTGER1
SCHEMBL1482376 0.84 DRD2 (0.47) DRD2TBXA2RP2RX3PTGER1
SCHEMBL1483096 0.84 DRD2 (0.55) DRD2TBXA2RMAPTRAB9AP2RX3

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 DRD2 1464/4885TBXA2R 92/4885MRGPRX4 650/4885

“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.