SCHEMBL5757736

SCHEMBL5757736

Cc1ccc(CCNC(=O)c2ccc(C)n(-c3cccc(C#N)c3)c2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ELANE P08246 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
PARP1 P09874 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.36
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
THRB P10828 1/20 0.35
MYC P01106 1/20 0.35
FPR1 P21462 1/20 0.35

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
SCHEMBL5756977 0.88 TP53 (0.47) NOTUMELANENPC1RAB9AALDH1A1
SCHEMBL5757286 0.85 CNR1 (0.48) NOTUMELANECNR2CNR1PARP1
SCHEMBL5758054 0.85 MAPT (0.47) NOTUMELANEALDH1A1CNR2CNR1
SCHEMBL5756791 0.85 NOTUM (0.43) NOTUMELANENPC1RAB9AALDH1A1
SCHEMBL5758208 0.84 MAPT (0.44) NOTUMELANEALDH1A1SMN1; SMN2GAA
SCHEMBL27643772 0.83 KLKB1 (0.48) NOTUMELANERAB9AALDH1A1SMN1; SMN2
SCHEMBL5756759 0.82 CNR1 (0.47) NOTUMELANENPC1RAB9ACNR2
SCHEMBL5757207 0.82 ELANE (0.45) NOTUMELANENPC1RAB9ACNR2
SCHEMBL5757117 0.82 ELANE (0.47) NOTUMELANENPC1RAB9AALDH1A1
SCHEMBL5756911 0.82 ELANE (0.57) NOTUMELANEALDH1A1GAATP53

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 NOTUM 3748/4885ELANE 2/4885NPC1 3743/4885

“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.