SCHEMBL5036837

SCHEMBL5036837

COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1N=C2c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.53
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PTGS2 P35354 15/20 0.41
FYN P06241 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
SCHEMBL5036841 1.00 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL8212942 0.90 CA2 (0.54) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL8212946 0.90 CA2 (0.54) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL8212941 0.90 CA2 (0.54) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL2881526 0.89 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL2881520 0.89 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL2881522 0.89 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL8207586 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL8207584 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCA1
SCHEMBL7704344 0.83 PDE4D (0.77) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250325-B1 PHENANTHRIDINE-N-OXIDES NYCOMED GMBH (DE) 2008-05-07 EP disclosed
US-6630483-B2 Phenanthridine-N-oxides ALTANA PHARMA AG (DE) 2003-10-07 US disclosed
US-20030105123-A1 For therapy of respiratory system disorders ALTANA PHARMA AG (DE) 2003-06-05 US disclosed
EP-1250325-A1 PHENANTHRIDINE-N-OXIDES ALTANA Pharma AG (DE) 2002-10-23 EP disclosed
WO-2001051470-A1 PHENANTHRIDINE-N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-07-19 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-20030105123-A1 For therapy of respiratory system disorders CHRM3, CYP11B1, CYP11B2 PDE4D 952/4885PDE4A 622/4885PDE4B 682/4885

“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.