SCHEMBL2576407

SCHEMBL2576407

Nc1ccc(-c2nc3cc(N4CCCCN4)ccc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.47
CHEK2 O96017 1/20 0.40
MAPT P10636 8/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
MMP8 P22894 4/20 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
SCHEMBL14903466 0.86 ALDH1A1 (0.40) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10070212 0.85 MAPT (0.55) NPBWR1CHEK2MAPTRAB9ANPC1
SCHEMBL1552598 0.80 MAPT (0.54) NPBWR1CHEK2MAPTRAB9ANPC1
SCHEMBL14892447 0.80 NPBWR1 (0.51) NPBWR1CHEK2MAPTSMN1; SMN2NPSR1
SCHEMBL12287148 0.80 NPBWR1 (0.48) NPBWR1CHEK2MAPTRAB9ANPC1
SCHEMBL2576408 0.80 NPBWR1 (0.40) NPBWR1CHEK2MAPTRAB9ANPC1
SCHEMBL14669420 0.80 MAPT (0.53) NPBWR1CHEK2MAPTRAB9ANPC1
SCHEMBL14892358 0.79 MAPT (0.50) NPBWR1CHEK2MAPTRAB9ANPC1
SCHEMBL2570432 0.79 NPBWR1 (0.47) NPBWR1CHEK2MAPTRAB9ANPC1
SCHEMBL12288111 0.78 NPBWR1 (0.46) NPBWR1CHEK2MAPTRAB9ANPC1

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 NPBWR1 580/4885CHEK2 1000/4885MAPT 4678/4885

“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.