SCHEMBL219411

SCHEMBL219411

Nc1nc2cc(I)cc(I)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
AXL P30530 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.33
SCN4A P35499 2/20 0.33
PIK3CA P42336 2/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL222470 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL1682624 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL219616 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL13244648 0.68 PIK3CA (0.54) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL359702 0.67 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL22993546 0.66 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL21138954 0.65 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL4830279 0.64 RAB9A (0.61) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL1282789 0.64 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL10991202 0.64 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR

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 3141/4885ALDH1A1 2843/4885CYP3A4 598/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 SMN1; SMN2 3693/4885ALDH1A1 3469/4885CYP3A4 849/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 SMN1; SMN2 3013/4885ALDH1A1 2924/4885CYP3A4 616/4885

“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.