SCHEMBL5758041

SCHEMBL5758041

COc1cccc(CNC(=O)c2ccc(C)n(-c3cccc(C#N)c3)c2=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ELANE P08246 1/20 0.43
GAA P10253 2/20 0.43
THRB P10828 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5757098 0.93 GAA (0.51) TP53LMNAELANEGAATHRB
SCHEMBL5757450 0.88 ELANE (0.48) TP53ELANEROCK2ROCK1NOTUM
SCHEMBL5756214 0.88 HTT (0.48) TP53MAPTELANEGAATHRB
SCHEMBL5758208 0.86 MAPT (0.44) TP53MAPTELANEGAATHRB
SCHEMBL5755000 0.86 MAPT (0.46) TP53MAPTLMNARXFP1ELANE
SCHEMBL5756216 0.85 ELANE (0.51) TP53LMNAELANENOTUMALDH1A1
SCHEMBL5758147 0.85 HPGD (0.47) TP53MAPTLMNARXFP1ELANE
SCHEMBL5754315 0.85 ELANE (0.61) TP53MAPTLMNARXFP1ELANE
SCHEMBL5755952 0.84 ELANE (0.47) ELANENOTUM
SCHEMBL5755787 0.83 ELANE (0.46) TP53ELANEGAATHRBDRD2

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 2 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

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 SCN9A 3442/4885TP53 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.