SCHEMBL138725

SCHEMBL138725

COc1ccc(Cn2c(=O)c3cc(CNC(C)=O)ccc3n(C3CCCN(C=O)C3)c2=O)cc1OC

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.93
PDE7B Q9NP56 5/20 0.60
PDE8A O60658 3/20 0.60
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 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
SCHEMBL139621 0.96 PDE7A (1.00) PDE7APDE7BPDE8ASMN1; SMN2TP53
SCHEMBL30837805 0.91 PDE7A (0.91) PDE7APDE7BPDE8ASMN1; SMN2TP53
SCHEMBL99906 0.91 PDE7A (0.91) PDE7APDE7BPDE8ASMN1; SMN2TP53
SCHEMBL135649 0.90 PDE7A (0.75) PDE7APDE7BPDE8AALDH1A1SMN1; SMN2
SCHEMBL17416721 0.89 PDE7A (0.74) PDE7APDE7BPDE8AALDH1A1SMN1; SMN2
SCHEMBL138863 0.89 PDE7A (0.73) PDE7APDE7BPDE8AALDH1A1SMN1; SMN2
SCHEMBL134509 0.88 PDE7A (0.72) PDE7APDE7BPDE8AALDH1A1SMN1; SMN2
SCHEMBL135655 0.87 PDE7A (0.80) PDE7APDE7BPDE8AALDH1A1SMN1; SMN2
SCHEMBL138251 0.86 PDE7A (0.70) PDE7APDE7BPDE8ACYP3A4CYP2C19
SCHEMBL100111 0.86 PDE7A (0.81) PDE7APDE7BPDE8ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
US-8748441-B2 Therapeutic uses of quinazolinedione derivatives SANOFI (FR) 2014-06-10 US disclosed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP disclosed
US-8242126-B2 Quinazolinedione derivatives, preparation thereof and therapeutic uses thereof SANOFI (FR) 2012-08-14 US disclosed
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 US disclosed
US-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-11-25 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 (2 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-20100298298-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF PPARD, DPP4, NDUFB7 PDE7A 941/4885PDE7B 1077/4885PDE8A 2165/4885
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.