SCHEMBL5717643

SCHEMBL5717643

NC(=O)C(Cc1c[nH]cn1)NC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 13/20 0.46
PDE4A P27815 3/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PADI1 Q9ULC6 2/20 0.44
PADI4 Q9UM07 2/20 0.44
PADI2 Q9Y2J8 2/20 0.44
PADI6 Q6TGC4 1/20 0.44
PADI3 Q9ULW8 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KMT2A Q03164 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
SCHEMBL1310656 0.90 ACE (0.48) CA1KMT2A
SCHEMBL1310658 0.90 ACE (0.48) CA1KMT2A
SCHEMBL7380348 0.86 PIN1 (0.47) HPGDSROCK2ROCK1
SCHEMBL24433825 0.84 PSMB5 (0.41) KMT2A
SCHEMBL10522885 0.81 ACE (0.52) CA1KMT2A
SCHEMBL11273089 0.81 CA2 (0.52) CA1
SCHEMBL11273085 0.81 CA2 (0.52) CA1
SCHEMBL27506310 0.81 CTSL (0.51)
SCHEMBL7281103 0.81 PARP1 (0.50)
SCHEMBL12459907 0.80 HPGDS (0.39) HPGDSCA1ROCK2ROCK1

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (2 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-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HPGDS 2859/4885PDE4A 3023/4885PDE4B 3530/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HPGDS 3019/4885PDE4A 3669/4885PDE4B 4013/4885

“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.