SCHEMBL5755853

SCHEMBL5755853

COc1cc(CNC(=O)c2ccc(C)n(-c3cccc(C#N)c3)c2=O)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.49
TP53 P04637 4/20 0.44
KLKB1 P03952 2/20 0.44
KLK1 P06870 2/20 0.44
NOTUM Q6P988 1/20 0.43
TOP2A P11388 1/20 0.43
MMP13 P45452 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
WDR5 P61964 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5759628 0.94 TOP2A (0.51) ELANETP53KLKB1KLK1TOP2A
SCHEMBL5755885 0.93 ELANE (0.54) ELANETP53KLKB1KLK1NOTUM
SCHEMBL5757450 0.89 ELANE (0.48) ELANETP53KLKB1KLK1NOTUM
SCHEMBL6215751 0.88 MAPT (0.51) ELANETP53KLKB1KLK1MAPT
SCHEMBL5756216 0.88 ELANE (0.51) ELANETP53KLKB1KLK1NOTUM
SCHEMBL5757705 0.87 ELANE (0.55) ELANEKLKB1KLK1NOTUMSMN1; SMN2
SCHEMBL5756911 0.86 ELANE (0.57) ELANETP53KLKB1KLK1NOTUM
SCHEMBL5756214 0.86 HTT (0.48) ELANETP53NOTUMMAPTSMN1; SMN2
SCHEMBL5757972 0.86 RAB9A (0.58) TP53TOP2AMAPTKDM4ERAB9A
SCHEMBL5759673 0.86 ELANE (0.53) ELANETP53KLKB1KLK1NOTUM

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 ELANE 2/4885TP53 3353/4885KLKB1 262/4885

“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.