SCHEMBL2456573

SCHEMBL2456573

O=C(Nc1c(Cl)cncc1Cl)c1cc(OCC2CC2)cc(OC(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.69
PDE4D Q08499 18/20 0.69
PDE4A P27815 7/20 0.69
PDE4C Q08493 7/20 0.69
ABCB11 O95342 1/20 0.69
GCK P35557 1/20 0.47

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
SCHEMBL4544198 0.82 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2887750 0.82 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL18095182 0.82 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29349467 0.82 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084829 0.82 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL19158 0.82 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29033058 0.81 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL28150332 0.81 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29039838 0.81 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5161562 0.81 PDE4D (0.62) PDE4BPDE4DPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF PDE4B 122/4885PDE4D 261/4885PDE4A 106/4885

“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.