SCHEMBL5759628

SCHEMBL5759628

COc1cccc(CNC(=O)c2ccc(C)n(-c3cccc(C#N)c3)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.51
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
MMP13 P45452 3/20 0.50
ELANE P08246 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
APEX1 P27695 1/20 0.48
RAB9A P51151 2/20 0.47
EGLN2 Q96KS0 1/20 0.46
ADORA2A P29274 1/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL5755853 0.94 ELANE (0.49) TOP2ATP53MAPTMMP13ELANE
SCHEMBL5755885 0.92 ELANE (0.54) TP53MAPTELANEKDM4EALDH1A1
SCHEMBL5757972 0.91 RAB9A (0.58) TOP2ATP53MAPTKDM4ERAB9A
SCHEMBL5756216 0.89 ELANE (0.51) TP53ELANEALDH1A1APEX1KLKB1
SCHEMBL5756141 0.89 ELANE (0.52) MAPTMMP13ELANEKDM4EALDH1A1
SCHEMBL5757705 0.88 ELANE (0.55) ELANEKDM4EALDH1A1HPGDKLKB1
SCHEMBL6215751 0.88 MAPT (0.51) TP53MAPTELANEKDM4EALDH1A1
SCHEMBL5756214 0.87 HTT (0.48) TP53MAPTELANEKDM4EALDH1A1
SCHEMBL5756946 0.87 ELANE (0.50) TP53MAPTELANEHPGDKMT2A
SCHEMBL5757342 0.87 ELANE (0.50) ELANEKDM4EMEN1KMT2AAPEX1

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
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US disclosed
CN-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 CN disclosed
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 TOP2A 1395/4885TP53 3353/4885MAPT 1847/4885

“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.