SCHEMBL455844

SCHEMBL455844

O=C(CN1CCOCC1)NNC(=O)c1cc(Br)cc2c1cnn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 6/20 0.39
CNR2 P34972 3/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
ATR Q13535 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL22499043 0.78 RXRA (0.47) ALDH1A1RXRARXRBRXRGATR
SCHEMBL31393181 0.77 RXRA (0.43) ALDH1A1RXRARXRBRXRGATR
SCHEMBL717411 0.76 ATR (0.36) TSHRALDH1A1CNR2CNR1HTT
SCHEMBL13190181 0.75 WNT1 (0.42) TSHRALDH1A1CNR2CNR1NLRP3
SCHEMBL22499208 0.75 ATR (0.43) RXRARXRBRXRGATR
SCHEMBL457038 0.74 TDO2 (0.47) TSHRALDH1A1HTTGAASMN1; SMN2
SCHEMBL717349 0.73 PIK3CG (0.41) RXRARXRBRXRGATRMAPT
SCHEMBL29003306 0.72 RXRA (0.44) ALDH1A1RXRARXRBRXRGSMN1; SMN2
SCHEMBL31393213 0.72 RXRA (0.44) ALDH1A1RXRARXRBRXRGHTT
SCHEMBL31393208 0.72 RXRA (0.44) ALDH1A1RXRARXRBRXRGHTT

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 15 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
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 TSHR 2187/4885ALDH1A1 799/4885CNR2 1043/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 TSHR 4320/4885ALDH1A1 3950/4885CNR2 4596/4885

“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.