SCHEMBL6166537

SCHEMBL6166537

COC(=O)CCCCCOc1ccc2nc(Sc3ccccn3)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
PDE3B Q13370 7/20 0.43
PDE3A Q14432 7/20 0.43
P2RY12 Q9H244 6/20 0.43
PDE2A O00408 2/20 0.43
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
LTB4R Q15722 1/20 0.36
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL5420228 0.89 AR (0.46) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL5409644 0.84 MAPT (0.47) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL5407528 0.83 AR (0.49) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL2330018 0.82 PDE3B (0.48) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL6369332 0.81 AR (0.48) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL2214987 0.81 PDE3B (0.48) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL5421328 0.80 PDE3B (0.50) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL5412794 0.80 PDE3B (0.50) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL2326969 0.80 PDE3B (0.48) ARPDE3BPDE3AP2RY12PDE2A
SCHEMBL5420262 0.79 PDE3B (0.46) ARPDE3BPDE3AP2RY12PDE2A

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-20030125550-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 AG (DE) 2003-07-03 US claimed
EP-1404656-B9 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-10-19 EP disclosed
US-6903126-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) 2005-06-07 US disclosed
EP-1404656-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AG (DE) 2005-05-18 EP disclosed
EP-1404656-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-07 EP disclosed
US-20030125550-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 AG (DE) 2003-07-03 US disclosed
WO-2003006438-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-23 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-20030125550-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, ARG1 AR 2973/4885PDE3B 471/4885PDE3A 476/4885

“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.