SCHEMBL470060

SCHEMBL470060

O=S(=O)(c1ccccc1)n1ncc2c(-c3nnc(CCl)o3)cc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
TDP1 Q9NUW8 1/20 0.36
HTR6 P50406 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
XBP1 P17861 1/20 0.36
PAX8 Q06710 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
TSHR P16473 3/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
SLC9A1 P19634 1/20 0.32
NOTUM Q6P988 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
SCHEMBL716114 0.92 NPC1 (0.39) ALDH1A1NPC1RAB9ATDP1HTR6
SCHEMBL470058 0.90 NPC1 (0.33) ALDH1A1LMNANPC1RAB9ATDP1
SCHEMBL720604 0.83 HTR6 (0.36) ALDH1A1NPC1RAB9AHTR6MAPT
SCHEMBL470156 0.82 RAB9A (0.36) ALDH1A1NPC1RAB9ATDP1HTR6
SCHEMBL720605 0.82 HTR6 (0.38) ALDH1A1NPC1RAB9AHTR6MAPT
SCHEMBL713695 0.81 KMT2A (0.39) ALDH1A1RAB9AHTR6MAPTPOLB
SCHEMBL715801 0.81 PIK3CG (0.42) ALDH1A1NPC1RAB9AHTR6MAPT
SCHEMBL716071 0.80 ATR (0.35) ALDH1A1LMNANPC1RAB9ATDP1
SCHEMBL720294 0.80 MAPT (0.35) ALDH1A1NPC1RAB9ATDP1HTR6
SCHEMBL470076 0.80 HTR6 (0.34) ALDH1A1LMNANPC1RAB9ATDP1

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 14 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
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
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

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 799/4885LMNA 4346/4885NPC1 972/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 ALDH1A1 3950/4885LMNA 3687/4885NPC1 3321/4885

“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.