SCHEMBL6483724

SCHEMBL6483724

COCCCn1c(-c2ccc(C)cc2)nc2ccc(OCCCCCC(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
PIN1 Q13526 3/20 0.48
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
PDE2A O00408 3/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
PTGER4 P35408 2/20 0.45
P2RY12 Q9H244 2/20 0.44
LTB4R Q15722 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL6484026 0.94 KDM4E (0.51) PIN1PDE3BPDE3APDE2APPARG
SCHEMBL6475593 0.93 PIN1 (0.47) PIN1PDE3BPDE3APDE2APTGER4
SCHEMBL6484337 0.93 PIN1 (0.51) PIN1PDE3BPDE3APDE2APPARG
SCHEMBL6480698 0.93 KDM4E (0.48) DPP4PIN1PDE3BPDE3APDE2A
SCHEMBL6475279 0.92 PIN1 (0.59) PIN1PDE3BPDE3APDE2APPARG
SCHEMBL6484022 0.91 PDE3B (0.46) DPP4PIN1PDE3BPDE3APDE2A
SCHEMBL6485249 0.91 PDE3B (0.50) PIN1PDE3BPDE3APDE2ARXFP1
SCHEMBL6602080 0.91 SIRT2 (0.46) DPP4PIN1PDE3BPDE3APDE2A
SCHEMBL6487011 0.90 PIN1 (0.51) PIN1PDE3BPDE3APDE2APPARG
SCHEMBL6483060 0.90 PIN1 (0.47) PIN1PDE3BPDE3APDE2APTGER4

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 DPP4 1490/4885PIN1 4859/4885PDE3B 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.