SCHEMBL12705552

SCHEMBL12705552

COc1ccc(-c2nc(C(=O)N3C[C@H](NC(=O)C4CC4)C[C@H]3C)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.54
PDE11A Q9HCR9 11/20 0.54
PDE10A Q9Y233 1/20 0.51

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
SCHEMBL16393759 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL12464378 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL152335 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL152336 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL16393762 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL12170411 0.91 PDE4B (0.51) PDE4BPDE11APDE10A
SCHEMBL13919907 0.90 PDE4B (0.59) PDE4BPDE11APDE10A
SCHEMBL13919447 0.89 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL12396146 0.89 PDE4B (0.53) PDE4BPDE11APDE10A
SCHEMBL13920013 0.87 PDE4B (0.63) PDE4BPDE11APDE10A

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-7919505-B2 Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORPORATION (US) 2011-04-05 US disclosed
US-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND SCHERING CORPORATION 2008-01-31 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-20080027101-A1 XINAFOATE SALT OF A SUBSTITUTED 5-OXAZOL-2-YL-QUINOLINE COMPOUND XDH, UPF1, NOX5 PDE4B 461/4885PDE11A 1277/4885PDE10A 1112/4885

“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.