SCHEMBL582861

SCHEMBL582861

COc1ccc(Cn2c(=O)c3cc(O)ccc3n(C3CCOCC3)c2=O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.57
PDE7B Q9NP56 4/20 0.57
PDE8A O60658 2/20 0.55
PDE1A P54750 5/20 0.43
PDE1B Q01064 5/20 0.43
PDE1C Q14123 5/20 0.43
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL32681343 1.00 PDE7A (0.57) PDE7APDE7BPDE8APDE1APDE1B
SCHEMBL581703 0.91 PDE7A (0.60) PDE7APDE7BPDE8APDE1APDE1B
SCHEMBL30837940 0.91 PDE7A (0.60) PDE7APDE7BPDE8APDE1APDE1B
SCHEMBL582487 0.90 PDE7A (0.57) PDE7APDE7BPDE8ASIGMAR1KDM4E
SCHEMBL32208847 0.89 PDE7A (0.60) PDE7APDE7BPDE8APDE1APDE1B
SCHEMBL583198 0.89 PDE7A (0.60) PDE7APDE7BPDE8APDE1APDE1B
SCHEMBL582178 0.89 PDE7A (0.57) PDE7APDE7BPDE8APDE1APDE1B
SCHEMBL582878 0.89 PDE7A (0.57) PDE7APDE7BPDE8APDE1APDE1B
SCHEMBL173189 0.89 PDE7A (0.57) PDE7APDE7BPDE8ASIGMAR1KDM4E
SCHEMBL32681329 0.89 PDE7A (0.57) PDE7APDE7BPDE8APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US claimed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US claimed
EP-2417130-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI (FR) 2012-02-15 EP claimed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 WO claimed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
EP-2417130-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI (FR) 2012-02-15 EP disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 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-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. CYP27B1, NDUFB3, MT-ND5 PDE7A 1134/4885PDE7B 1030/4885PDE8A 3030/4885

“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.