SCHEMBL456826

SCHEMBL456826

C[Sn](C)(C)c1cc(NC(=O)c2ccco2)c2cnn(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 5/20 0.40
MAPK1 P28482 4/20 0.40
MEN1 O00255 4/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2216043 0.81 HTR6 (0.36) NPSR1SMN1; SMN2L3MBTL1HDAC1
SCHEMBL1432115 0.81 HTR6 (0.36) HDAC1
SCHEMBL462217 0.79 PIK3CD (0.47) ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL2214904 0.79 EGFR (0.34) MAPTHPGDKMT2AHDAC1
SCHEMBL1431436 0.78 TSHR (0.48) ALDH1A1NPSR1MAPTSMN1; SMN2KMT2A
SCHEMBL12271617 0.77 PIK3C3 (0.39) ALDH1A1NPSR1MAPTSMN1; SMN2HPGD
SCHEMBL458467 0.73 HTR6 (0.43) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL1432113 0.67 HTR6 (0.39) ALDH1A1MAPTKMT2AHDAC1
SCHEMBL110249 0.65 HTR6 (0.43) ALDH1A1NPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL28176964 0.62 RAB9A (0.56) ALDH1A1NPSR1MAPTSMN1; SMN2HPGD

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 7 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
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
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 ALDH1A1 799/4885NPSR1 160/4885MAPT 3121/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B ALDH1A1 2209/4885NPSR1 2971/4885MAPT 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.