SCHEMBL5206489

SCHEMBL5206489

CC(=O)c1cc(C(N)=O)n(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
HDAC8 Q9BY41 1/20 0.44
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BRPF1 P55201 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C9 P11712 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
CA5A P35218 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL2361283 0.82 CYP2C9 (0.51) PKMHDAC8KDM4EHSD17B10CYP2C9
SCHEMBL11063029 0.77 CYP1A2 (0.55) PKMHDAC8KDM4EHSD17B10KMT2A
SCHEMBL24158944 0.76 CYP2C9 (0.50) PKMCCNCCDK8HDAC8BRD4
SCHEMBL13527129 0.75 CCNC (0.51) PKMCCNCCDK8BRD4KDM4E
SCHEMBL19151400 0.75 CCNC (0.51) PKMCCNCCDK8BRD4KDM4E
SCHEMBL10002537 0.75 CDK8 (0.51) PKMCCNCCDK8BRD4KDM4E
Hydrochloric Acid SCHEMBL17781591 0.73 CCNC (0.50) PKMCCNCCDK8BRD4KDM4E
SCHEMBL28811450 0.73 CCNC (0.50) PKMCCNCCDK8BRD4KDM4E
SCHEMBL13835030 0.73 CCNC (0.50) PKMCCNCCDK8BRD4KDM4E
SCHEMBL16403997 0.73 RAB9A (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
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-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 PKM 956/4885CCNC 2654/4885CDK8 3818/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 PKM 956/4885CCNC 2654/4885CDK8 3818/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 PKM 1051/4885CCNC 2650/4885CDK8 4106/4885

“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.