SCHEMBL457038

SCHEMBL457038

O=C(CN1CCOCC1)NNC(=O)c1cc(Br)cc2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
METTL3 Q86U44 3/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HTT P42858 2/20 0.42
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CLK1 P49759 1/20 0.39
NLRP3 Q96P20 1/20 0.39
POLB P06746 1/20 0.38
SMYD2 Q9NRG4 1/20 0.38
PKM P14618 1/20 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
SCHEMBL455844 0.74 TSHR (0.39) TSHRALDH1A1HTTGAASMN1; SMN2
SCHEMBL458344 0.73 TDO2 (0.60) TDO2METTL3ALDH1A1GAAKDM4E
SCHEMBL470163 0.69 TDO2 (0.50) TDO2METTL3
SCHEMBL459215 0.67 TDO2 (0.54) TDO2METTL3
SCHEMBL13190181 0.67 WNT1 (0.42) TDO2TSHRALDH1A1NLRP3POLB
SCHEMBL3793952 0.66 HDAC1 (0.49)
SCHEMBL31158048 0.65 TDO2 (0.53) TDO2METTL3TSHRMAPTL3MBTL1
SCHEMBL459193 0.65 TDO2 (0.53) TDO2METTL3TSHRMAPTL3MBTL1
SCHEMBL28265817 0.65 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2KDM4ESMYD2
SCHEMBL19249342 0.63 TDO2 (0.52) TDO2

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 16 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-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP 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
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
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
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 TDO2 2952/4885METTL3 626/4885TSHR 2187/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 TDO2 3188/4885METTL3 3069/4885TSHR 4320/4885

“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.