SCHEMBL173205

SCHEMBL173205

Nc1cccc(-c2ccc(Cn3c(=O)c4cc(OC(CF)CF)c(F)cc4n(C4CCN(C=O)CC4)c3=O)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.52
PDE7B Q9NP56 5/20 0.52
PDE8A O60658 3/20 0.52
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
OPRD1 P41143 2/20 0.34
KCNH2 Q12809 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
MTOR P42345 1/20 0.30
TOP1 P11387 1/20 0.30

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
SCHEMBL101167 0.93 PDE7A (0.53) PDE7APDE7BPDE8ACYP11B1NPSR1
SCHEMBL100928 0.91 PDE7A (0.58) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL30837867 0.91 PDE7A (0.58) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL101005 0.90 PDE7A (0.56) PDE7APDE7BPDE8ACYP11B1ALDH1A1
SCHEMBL100993 0.90 PDE7A (0.55) PDE7APDE7BPDE8ACYP11B1CYP11B2
SCHEMBL100103 0.88 PDE7A (0.55) PDE7APDE7BPDE8ACYP11B1CYP11B2
SCHEMBL100395 0.87 PDE7A (0.62) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL30837936 0.87 PDE7A (0.62) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100396 0.86 PDE7A (0.53) PDE7APDE7BPDE8ACYP11B1CYP11B2
SCHEMBL32681322 0.86 PDE7A (0.53) PDE7APDE7BPDE8ACYP11B1CYP11B2

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 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-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.