SCHEMBL6481683

SCHEMBL6481683

COCCCn1c(-c2ccncc2)nc2ccc(OCCCCCC(=O)OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.49
PDE3A Q14432 8/20 0.49
P2RY12 Q9H244 6/20 0.49
PDE2A O00408 3/20 0.49
DYRK1A Q13627 3/20 0.45
PIN1 Q13526 3/20 0.42
AVPR1B P47901 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER4 P35408 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL7115771 0.93 PDE3B (0.44) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6484254 0.92 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6485249 0.92 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6484336 0.92 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2APIN1
SCHEMBL6484022 0.92 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6484869 0.91 PDE3B (0.49) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6476172 0.90 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6475417 0.89 PIN1 (0.48) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6474978 0.89 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2ADYRK1A
SCHEMBL6480715 0.89 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2ADYRK1A

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 6 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
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 PDE3B 210/4885PDE3A 226/4885P2RY12 562/4885

“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.