SCHEMBL219616

SCHEMBL219616

Nc1nc2cc(I)cc(Br)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
AXL P30530 1/20 0.33
GFER P55789 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NSD1 Q96L73 1/20 0.32
NPC1 O15118 2/20 0.31
SCN4A P35499 2/20 0.31
PIK3CA P42336 2/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31

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; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL1282789 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL25424554 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL1682624 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL1707911 0.78 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL30720790 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL18038426 0.75 CYP3A4 (0.50) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL222470 0.74 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4TP53TSHR
SCHEMBL27264665 0.74 SCN4A (0.49) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
CN-103249732-B The bacterial topoisomerase II of suppression 2-ethyl carbamyl amino-1,3-benzothiazole-5-base 生物区欧洲有限公司 2016-08-10 CN disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 EP disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 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 (4 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD SMN1; SMN2 4614/4885ALDH1A1 2417/4885CYP3A4 90/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 SMN1; SMN2 3693/4885ALDH1A1 3469/4885CYP3A4 849/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS SMN1; SMN2 4323/4885ALDH1A1 2684/4885CYP3A4 80/4885
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.