SCHEMBL222470

SCHEMBL222470

Nc1nc2cc(Br)cc(I)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
NSD1 Q96L73 1/20 0.39
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 4/20 0.33
RAB9A P51151 4/20 0.33
GAA P10253 2/20 0.33
GFER P55789 2/20 0.33
HTT P42858 2/20 0.33
AXL P30530 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.32
BACE1 P56817 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL219411 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL219725 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53
SCHEMBL14347169 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53
SCHEMBL17115155 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53MAPTRAB9A
SCHEMBL18614481 0.78 SMN1; SMN2 (0.44) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53
SCHEMBL219616 0.74 SMN1; SMN2 (0.44) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53
SCHEMBL31373507 0.70 NSD1 (0.64) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53
SCHEMBL26650333 0.70 NSD1 (0.64) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53
SCHEMBL21328391 0.70 SMN1; SMN2 (0.46) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53
SCHEMBL30266049 0.70 SMN1; SMN2 (0.46) SMN1; SMN2NSD1ALDH1A1CYP3A4TP53

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 21 patents — showing the first 20. 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-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
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
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 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-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US 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-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-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 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
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US 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 SMN1; SMN2 3141/4885NSD1 1008/4885ALDH1A1 2843/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 SMN1; SMN2 3693/4885NSD1 1545/4885ALDH1A1 3469/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 SMN1; SMN2 3013/4885NSD1 1174/4885ALDH1A1 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.