SCHEMBL3708066

SCHEMBL3708066

O=[N+]([O-])CC(O)C1CCCO1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL10518798 0.95 SLC6A3 (0.33)
SCHEMBL21794157 0.76
SCHEMBL1864816 0.76
SCHEMBL30835142 0.76 NOS2 (0.37) GAAL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL4541929 0.73 KEAP1 (0.31) L3MBTL1KEAP1NFE2L2ALDH1A1CASP3
SCHEMBL1579633 0.72
SCHEMBL3703373 0.72
SCHEMBL2301161 0.72
SCHEMBL1579635 0.72
SCHEMBL2301159 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 GAA 26/4885L3MBTL1 4304/4885KEAP1 186/4885

“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.