SCHEMBL4147263

SCHEMBL4147263

COc1ccc(Cn2c(=O)c3cc(O[C@H](C)C#N)ccc3n(C3CC[S+]([O-])CC3)c2=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.61
PDE7B Q9NP56 5/20 0.61
PDE8A O60658 3/20 0.59
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CASR P41180 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL582799 1.00 PDE7A (0.61) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL30837916 1.00 PDE7A (0.61) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL4151160 1.00 PDE7A (0.61) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL100564 0.89 PDE7A (0.66) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL2681669 0.89 PDE7A (0.63) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL136830 0.89 PDE7A (0.63) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL582772 0.88 PDE7A (0.62) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL30837821 0.88 PDE7A (0.62) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL582771 0.88 PDE7A (0.61) PDE7APDE7BPDE8AMEN1MAPT
SCHEMBL582248 0.87 PDE7A (0.79) PDE7APDE7BPDE8AMEN1MAPT

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 4 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 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

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.