Sugi Predict

Sugi Predict / Compounds / SCHEMBL457741

SCHEMBL457741

SCHEMBL457741

O=[N+]([O-])c1ccc(S(=O)(=O)n2cc(Br)c3ccncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ HTR6 P50406 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PARL Q9H300 1/20 0.42
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38

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
SCHEMBL12450003 0.83 HTR6 (0.51) CA2CA9HTR6CA1HDAC3
SCHEMBL13051118 0.83 HTR6 (0.52) CA2CA9HTR6LMNACA12
SCHEMBL1630738 0.76 HTR6 (0.47) CA2CA9HTR6LMNACA12
SCHEMBL23611854 0.75 HTR6 (0.46) CA2HTR6LMNAPARLCA1
SCHEMBL1895249 0.73 HTR6 (0.61) CA2CA9HTR6CA1NOD1
SCHEMBL30295250 0.73 HTR6 (0.61) CA2CA9HTR6CA1NOD1
SCHEMBL30974768 0.72 HTR6 (0.59) CA2CA9HTR6LMNACA12
SCHEMBL29247367 0.72 HTR6 (0.59) CA2CA9HTR6LMNACA12
SCHEMBL1772583 0.68 AGTR1 (0.43) CA2LMNACA5APKMSMN1; SMN2
SCHEMBL14406229 0.68 HTR6 (0.59) CA2CA9HTR6LMNACA12

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 9 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
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
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 — — EP 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-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 — — 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 CA2 3382/4885CA9 2400/4885HTR6 1564/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B CA2 1001/4885CA9 1800/4885HTR6 4401/4885

“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.