SCHEMBL459435

SCHEMBL459435

Cc1ccc(S(=O)(=O)n2ncc3c(-c4nnc(C)o4)cc(Br)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
MAPT P10636 2/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PDE4B Q07343 1/20 0.32
POLB P06746 1/20 0.32
ALDH3A1 P30838 1/20 0.32
HTT P42858 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
SCHEMBL470058 0.87 NPC1 (0.33) SLC9A1MAPTCA1CA2CA12
SCHEMBL470295 0.82 PIK3CG (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL470117 0.80 PIK3CD (0.35) MAPTTP53MEN1KMT2ALMNA
SCHEMBL716114 0.80 NPC1 (0.39) SLC9A1MAPTCA1CA2ALDH1A1
SCHEMBL713193 0.78 SLC9A1 (0.36) SLC9A1MAPTCA1CA2MEN1
SCHEMBL1118681 0.77 MAPT (0.47) SLC9A1MAPTALDH1A1MEN1KMT2A
SCHEMBL456526 0.77 ALDH1A1 (0.43) SLC9A1MAPTCA1CA2ALDH1A1
SCHEMBL457396 0.77 METAP2 (0.44) SLC9A1MAPTMEN1KMT2AGAA
SCHEMBL470060 0.76 ALDH1A1 (0.39) SLC9A1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL715884 0.76 PIK3CD (0.43) PIK3CAPIK3CG

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 19 patents. 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
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US 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
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-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2406255-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-01-18 EP disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 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 (2 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 SLC9A1 2256/4885MAPT 3121/4885CA1 3419/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 SLC9A1 3953/4885MAPT 3026/4885CA1 3110/4885

“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.