SCHEMBL6475834

SCHEMBL6475834

COC(=O)CCCCCOc1ccc(N)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.52
PDE3A Q14432 6/20 0.52
P2RY12 Q9H244 5/20 0.52
PDE2A O00408 2/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HDAC1 Q13547 5/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
HDAC8 Q9BY41 5/20 0.44
LTB4R Q15722 1/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44

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
SCHEMBL22955091 0.87 PDE3B (0.49) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL13244182 0.86 MAPT (0.50) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL4275826 0.84 HDAC1 (0.56) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL17262864 0.83 HDAC1 (0.50) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL13933074 0.83 HDAC1 (0.50) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL831000 0.83 HDAC1 (0.50) PDE3BPDE3AP2RY12PDE2AMAPT
SCHEMBL5420606 0.82 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2AHDAC1
SCHEMBL7916996 0.82 ALDH1A1 (0.47) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL2330546 0.81 LTB4R (0.45) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL6476617 0.81 KDM4E (0.52) PDE3BPDE3AP2RY12PDE2AMAPT

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 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.