SCHEMBL2553773

SCHEMBL2553773

Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
SIRT6 Q8N6T7 3/20 0.69
LMNA P02545 2/20 0.66
RECQL P46063 1/20 0.61
HTR7 P34969 1/20 0.55
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.52
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL31306580 0.88 MAPT (0.71) MAPTSIRT6LMNARECQLHTR7
SCHEMBL26115965 0.87 MAPT (0.53) MAPTSIRT6LMNARECQLHTR7
SCHEMBL31339096 0.87 MAPT (0.53) MAPTSIRT6LMNARECQLHTR7
SCHEMBL2553652 0.85 MAPT (0.70) MAPTSIRT6LMNARECQLHTR7
SCHEMBL16514440 0.84 MAPT (0.56) MAPTSIRT6LMNAALDH1A1MAPK1
SCHEMBL4772717 0.84 MAPT (0.72) MAPTSIRT6LMNARECQLHTR7
SCHEMBL2550748 0.84 MAPT (0.68) MAPTSIRT6LMNARECQLHTR7
SCHEMBL4256259 0.83 LMNA (0.64) MAPTSIRT6LMNARECQLHTR7
SCHEMBL77148 0.82 SIRT6 (1.00) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL16054851 0.82 MAPT (0.65) MAPTSIRT6LMNARECQLHTR7

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-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
WO-2017008708-A1 METHOD FOR PREPARING INDAZOLE COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2017-01-19 WO disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
EP-2556058-A1 RADIOPROTECTOR COMPOUNDS AND METHODS Peter MacCallum Cancer Institute (AU) 2013-02-13 EP disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 WO disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 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 (1 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-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 MAPT 4678/4885SIRT6 1519/4885LMNA 584/4885

“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.