SCHEMBL2552086

SCHEMBL2552086

CN(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.66
SIRT6 Q8N6T7 4/20 0.66
LMNA P02545 2/20 0.63
RECQL P46063 2/20 0.59
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL5058364 0.86 MAPT (0.71) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL213790 0.84 LMNA (0.69) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL213791 0.84 LMNA (0.69) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL77148 0.80 SIRT6 (1.00) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL216810 0.80 MAPT (0.67) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL30565934 0.80 MAPT (0.67) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL2553550 0.79 MAPT (0.72) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL1842221 0.79 MAPT (0.67) MAPTSIRT6LMNARECQLALDH1A1
SCHEMBL1811704 0.79 MAPT (0.63) MAPTSIRT6LMNAALDH1A1HTT
SCHEMBL1843709 0.78 MAPT (0.57) MAPTSIRT6LMNARECQLALDH1A1

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-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
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.