SCHEMBL459666

SCHEMBL459666

O=[N+]([O-])c1cc(Br)cc2c1c(F)nn2S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 5/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR174 Q9BXC1 2/20 0.38
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
ACLY P53396 1/20 0.36
BRD4 O60885 1/20 0.35
RAB9A P51151 1/20 0.34
SLC9A1 P19634 1/20 0.34
KIF18A Q8NI77 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 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
SCHEMBL455946 0.81 KMT2A (0.47) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL15489065 0.81 KMT2A (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL29507324 0.72 L3MBTL1 (0.46) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL12577001 0.68 MAPT (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL18164170 0.68 KMT2A (0.40) SMN1; SMN2KMT2AALDH1A1MEN1LMNA
SCHEMBL16936124 0.67 ABCG2 (0.40) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL25172322 0.67 MAPT (0.48) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL21856781 0.67 HDAC3 (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL22915921 0.66 GLA (0.41) SMN1; SMN2KMT2AMAPTALDH1A1MEN1
SCHEMBL457624 0.66 MAPT (0.39) SMN1; SMN2KMT2AMAPTALDH1A1MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA SMN1; SMN2 3935/4885KMT2A 3601/4885MAPT 2759/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 SMN1; SMN2 4600/4885KMT2A 2534/4885MAPT 3121/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B SMN1; SMN2 4190/4885KMT2A 3020/4885MAPT 2143/4885

“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.