SCHEMBL4121023

SCHEMBL4121023

COC(=O)c1cccc(N2CC(N)C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
GRM2 Q14416 1/20 0.52
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.46
HPGD P15428 4/20 0.46
PMM2 O15305 1/20 0.46
MPI P34949 1/20 0.46
RAB9A P51151 1/20 0.46
PHOSPHO1 Q8TCT1 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL5219621 0.86 GAA (0.54) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL5219880 0.85 GAA (0.53) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL2623592 0.82 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL2623576 0.82 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL4125490 0.80 NOTUM (0.43) GAAGRM2ALDH1A1LMNAHPGD
SCHEMBL5226071 0.78 GAA (0.51) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL6568249 0.77 GAA (0.56) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL14898094 0.77 GAA (0.53) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL14879792 0.77 GAA (0.53) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL14898279 0.77 GAA (0.53) GAAGRM2ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2009-10-08 US disclosed
EP-1861396-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006092608-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-09-08 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-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY AZI2, AAAS, QDPR GAA 219/4885GRM2 4726/4885ALDH1A1 2333/4885

“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.