SCHEMBL6475559

SCHEMBL6475559

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.47
PDE3A Q14432 6/20 0.47
P2RY12 Q9H244 5/20 0.47
PDE2A O00408 2/20 0.46
LTB4R Q15722 1/20 0.46
ACSS2 Q9NR19 2/20 0.44
AVPR1B P47901 5/20 0.43
TOP1 P11387 1/20 0.43
HDAC1 Q13547 1/20 0.43
GRIN2B Q13224 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6474287 0.93 LTB4R (0.46) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6475143 0.92 PPARG (0.46) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6484042 0.91 TSPO (0.47) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6483459 0.90 GAA (0.51) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6476128 0.86 HPGD (0.55) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6474853 0.86 ALDH1A1 (0.51) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6474737 0.86 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6484336 0.85 PDE3B (0.50) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6484039 0.84 KDM4E (0.51) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL6476466 0.84 KDM4E (0.46) PDE3BPDE3AP2RY12PDE2ALTB4R

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 4 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

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.