SCHEMBL5481606

SCHEMBL5481606

CCCCNc1nc2ccc(OCCCCCC(=O)OC)cc2n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.46
PDE3A Q14432 7/20 0.46
P2RY12 Q9H244 6/20 0.46
PDE2A O00408 2/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
TSHR P16473 1/20 0.42
LTB4R Q15722 1/20 0.41
CYP1A2 P05177 5/20 0.41
PDE10A Q9Y233 5/20 0.41
ACSS2 Q9NR19 2/20 0.41
FGFR1 P11362 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL5422071 0.95 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL6169099 0.93 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5408066 0.88 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5417970 0.86 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5410449 0.85 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL6167487 0.84 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL5418895 0.83 PDE3B (0.52) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5407925 0.83 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5412749 0.83 PDE3B (0.53) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL5409690 0.83 PDE3B (0.51) PDE3BPDE3AP2RY12PDE2APPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196202-B2 1-aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2007-03-27 US disclosed
US-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-30 US 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-20050143439-A1 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives MSR1, ARG2, CYBB PDE3B 323/4885PDE3A 386/4885P2RY12 335/4885

“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.