SCHEMBL6475201

SCHEMBL6475201

O=C(O)CCCCCOc1ccc2c(c1)nc(-c1ccccc1)n2CC=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.50
DRD2 P14416 9/20 0.46
DRD3 P35462 9/20 0.46
ALB P02768 1/20 0.44
TOP1 P11387 1/20 0.44
HDAC1 Q13547 1/20 0.44
PPARG P37231 2/20 0.43
PDE2A O00408 3/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
P2RY12 Q9H244 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
LTB4R Q15722 2/20 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
SCHEMBL6475198 1.00 PPARA (0.50) PPARADRD2DRD3ALBTOP1
SCHEMBL6475957 0.93 PPARA (0.50) PPARADRD2DRD3ALBTOP1
SCHEMBL6475960 0.93 PPARA (0.50) PPARADRD2DRD3ALBTOP1
SCHEMBL6475231 0.91 DRD3 (0.46) DRD2DRD3TOP1HDAC1PPARG
SCHEMBL6475234 0.91 DRD3 (0.46) DRD2DRD3TOP1HDAC1PPARG
SCHEMBL6485891 0.87 KDM4E (0.49) PPARADRD2DRD3TOP1HDAC1
SCHEMBL6474086 0.85 DRD3 (0.43) DRD2DRD3TOP1HDAC1PDE2A
SCHEMBL6474089 0.85 DRD3 (0.43) DRD2DRD3TOP1HDAC1PDE2A
SCHEMBL6475246 0.85 KDM4E (0.57) PPARATOP1HDAC1PPARGPDE2A
SCHEMBL6481891 0.84 PDE3B (0.48) DRD2DRD3TOP1HDAC1PPARG

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 PPARA 108/4885DRD2 521/4885DRD3 405/4885

“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.