SCHEMBL136526

SCHEMBL136526

N#Cc1cc(Cn2c(=O)c3ccc(OC(CF)C(F)F)cc3n(C3CCN(C=O)CC3)c2=O)ccc1OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.56
PDE7B Q9NP56 5/20 0.56
PDE8A O60658 3/20 0.56
S1PR1 P21453 7/20 0.38
S1PR5 Q9H228 3/20 0.38
S1PR4 O95977 1/20 0.38
CYP2C9 P11712 1/20 0.38
PLA2G7 Q13093 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL30837787 0.85 PDE7A (0.58) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL100389 0.85 PDE7A (0.58) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL136525 0.83 PDE7A (0.53) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL100455 0.81 PDE7A (0.63) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL101113 0.78 PDE7A (0.82) PDE7APDE7BPDE8AS1PR1
SCHEMBL30837887 0.77 PDE7A (0.77) PDE7APDE7BPDE8AS1PR1
SCHEMBL100689 0.77 PDE7A (0.77) PDE7APDE7BPDE8AS1PR1
SCHEMBL101209 0.76 PDE7A (0.59) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL100290 0.74 PDE7A (0.66) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL30837851 0.74 PDE7A (0.66) PDE7APDE7BPDE8AS1PR1S1PR5

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-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 US claimed

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-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SLC5A2, SLC5A1, PPARD PDE7A 1520/4885PDE7B 1364/4885PDE8A 2069/4885

“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.