SCHEMBL6483182

SCHEMBL6483182

O=C(O)CCCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PPARG P37231 2/20 0.48
PPARA Q07869 1/20 0.48
PDE2A O00408 3/20 0.48
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
P2RY12 Q9H244 1/20 0.48
LTB4R Q15722 6/20 0.47
TOP1 P11387 1/20 0.46
HDAC1 Q13547 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.46
PIN1 Q13526 1/20 0.45
PLA2G2A P14555 1/20 0.45
AVPR1B P47901 1/20 0.44

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
SCHEMBL6475246 0.91 KDM4E (0.57) KDM4EHSD17B10PPARGPPARAPDE2A
SCHEMBL6475143 0.90 PPARG (0.46) KDM4EHSD17B10PPARGPPARAPDE2A
SCHEMBL6476694 0.89 PLA2G2A (0.55) PPARGPPARAPLA2G2A
SCHEMBL6483191 0.88 KDM4E (0.49) KDM4EHSD17B10PPARGPPARAPDE2A
SCHEMBL6474555 0.88 HPGD (0.57) KDM4EHSD17B10PPARGPPARAPDE2A
SCHEMBL6484337 0.87 PIN1 (0.51) KDM4EPPARGPPARAPDE2APDE3B
SCHEMBL6475960 0.85 PPARA (0.50) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL6475957 0.85 PPARA (0.50) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2323904 0.85 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A
SCHEMBL2328941 0.85 PPARA (0.48) PPARGPPARAPDE2APDE3BPDE3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US claimed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP claimed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US claimed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO claimed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP disclosed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO 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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 KDM4E 1512/4885HSD17B10 2343/4885PPARG 41/4885

“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.