SCHEMBL5408087

SCHEMBL5408087

COC(=O)CCCCCOc1ccc2nc(S(=O)(=O)c3ccccc3)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.44
PDE3A Q14432 9/20 0.44
P2RY12 Q9H244 7/20 0.44
PDE2A O00408 3/20 0.44
AR P10275 1/20 0.40
LTB4R Q15722 1/20 0.39
CYP1A2 P05177 3/20 0.38
PDE10A Q9Y233 3/20 0.38
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 2/20 0.37
ACSS2 Q9NR19 1/20 0.37
PPARA Q07869 1/20 0.37
DYRK1A Q13627 1/20 0.37
PLA2G2A P14555 1/20 0.36

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
SCHEMBL6368872 0.92 PPARG (0.44) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL5412443 0.88 PDE3B (0.43) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL6170153 0.86 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL5414898 0.85 PDE3B (0.45) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL2330018 0.85 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL6168443 0.83 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL2326969 0.83 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL5410430 0.82 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2ALTB4R
SCHEMBL5420262 0.82 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2AAR
SCHEMBL5417467 0.82 PDE3B (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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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
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
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-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
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 (2 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 PDE3B 471/4885PDE3A 476/4885P2RY12 640/4885
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.