SCHEMBL6475608

SCHEMBL6475608

COCCCn1c(-c2cccnc2)nc2ccc(OCCCCCC(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.47
AVPR1B P47901 1/20 0.44
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
PDE2A O00408 3/20 0.44
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
PIN1 Q13526 3/20 0.43
PTGER4 P35408 2/20 0.42
P2RY12 Q9H244 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 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
SCHEMBL6474978 0.92 PDE3B (0.47) AVPR1BPDE3BPDE3APDE2ACYP11B2
SCHEMBL6484337 0.91 PIN1 (0.51) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6526290 0.91 CYP11B1 (0.43) TBXAS1AVPR1BPDE3BPDE3APDE2A
SCHEMBL7115771 0.89 PDE3B (0.44) AVPR1BPDE3BPDE3APDE2ACYP11B2
SCHEMBL6484022 0.89 PDE3B (0.46) AVPR1BPDE3BPDE3APDE2APPARG
SCHEMBL6484026 0.86 KDM4E (0.51) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6483724 0.86 DPP4 (0.48) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6474555 0.86 HPGD (0.57) PDE3BPDE3APDE2APPARGPPARA
SCHEMBL6475593 0.85 PIN1 (0.47) PDE3BPDE3APDE2APIN1PTGER4
SCHEMBL6480698 0.85 KDM4E (0.48) AVPR1BPDE3BPDE3APDE2APPARG

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
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
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 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 TBXAS1 319/4885AVPR1B 2285/4885PDE3B 210/4885

“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.