SCHEMBL2576408

SCHEMBL2576408

Nc1ccc(-c2nc3cc(N4C=CCCN4)ccc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.40
MAPT P10636 10/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
POLB P06746 2/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHEK2 O96017 1/20 0.38
HTT P42858 4/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37

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
SCHEMBL10070212 0.81 MAPT (0.55) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2576407 0.80 NPBWR1 (0.47) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12287148 0.78 NPBWR1 (0.48) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14892447 0.78 NPBWR1 (0.51) NPBWR1MAPTSMN1; SMN2CHEK2ALDH1A1
SCHEMBL1552598 0.78 MAPT (0.54) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14669420 0.77 MAPT (0.53) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2570432 0.76 NPBWR1 (0.47) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12288111 0.76 NPBWR1 (0.46) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14892827 0.76 MAPT (0.42) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14903455 0.75 MMP2 (0.57) NPBWR1MAPTRAB9ANPC1SMN1; SMN2

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 6 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
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-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

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 580/4885MAPT 4678/4885RAB9A 2599/4885

“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.