SCHEMBL12371963

SCHEMBL12371963

COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(C)nc12

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.77
PDE4A P27815 19/20 0.77
PDE4B Q07343 19/20 0.77
PDE4C Q08493 19/20 0.77
PDE11A Q9HCR9 1/20 0.59

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
SCHEMBL4698780 0.87 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
Sch-351591 SCHEMBL29378661 0.86 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE11A
Sch-351591 SCHEMBL157018 0.86 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL13035036 0.83 PDE4B (0.71) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4699328 0.80 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8290205 0.78 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL7982349 0.78 PDE4B (0.78) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4703070 0.77 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4700531 0.77 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL7977878 0.76 PDE4A (0.48) PDE4DPDE4APDE4BPDE4CPDE11A

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-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 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 (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-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 PDE4D 664/4885PDE4A 336/4885PDE4B 234/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 PDE4D 664/4885PDE4A 336/4885PDE4B 234/4885

“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.