SCHEMBL221584

SCHEMBL221584

NC(=O)N(S)c1cc(Br)cc(-n2cccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
HDAC4 P56524 1/20 0.33
LRRK2 Q5S007 1/20 0.33
NOTUM Q6P988 1/20 0.33
MGLL Q99685 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KAT6A Q92794 5/20 0.31
ERCC1 P07992 1/20 0.30

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
SCHEMBL219166 0.74 PARP1 (0.32) KDM4E
SCHEMBL17640894 0.74 NOTUM (0.48) LMNAKDM4EALDH1A1KMT2AMAPK1
SCHEMBL221069 0.70 ADORA2A (0.42) LMNAKDM4EALDH1A1KMT2AMAPK1
SCHEMBL220480 0.69 KAT6A (0.39) LMNAPTPN1HDAC4KAT6A
SCHEMBL221583 0.68 ADORA2A (0.35) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL6209994 0.67 MAPT (0.43) LMNAKDM4EALDH1A1KMT2AMAPK1
SCHEMBL221986 0.67
SCHEMBL5634705 0.66 PARP1 (0.48) ALDH1A1GAA
SCHEMBL23702657 0.65 ALDH1A1 (0.41) LMNAKDM4EALDH1A1KMT2AMAPK1
SCHEMBL31413300 0.65 ALDH1A1 (0.41) LMNAKDM4EALDH1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 LMNA 3158/4885KDM4E 3843/4885ALDH1A1 2843/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 LMNA 3994/4885KDM4E 4304/4885ALDH1A1 3469/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 LMNA 3241/4885KDM4E 3936/4885ALDH1A1 2924/4885

“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.