SCHEMBL2554887

SCHEMBL2554887

Nc1ccc(-c2nc3cc(N4CCSCC4)ccc3[nH]2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.48
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
HPGD P15428 4/20 0.42
TOP1 P11387 2/20 0.42
TOP2A P11388 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TERT O14746 2/20 0.40
NPBWR1 P48145 2/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL14665724 0.86 TERT (0.49) LGMNALDH1A1SMN1; SMN2HPGDTOP1
SCHEMBL14669422 0.86 PARP1 (0.44) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A
SCHEMBL1551571 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A
SCHEMBL12287148 0.85 NPBWR1 (0.48) LGMNALDH1A1SMN1; SMN2HPGDTOP1
SCHEMBL14669385 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A
SCHEMBL14892671 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A
SCHEMBL14892248 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A
SCHEMBL14893082 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A
SCHEMBL14892811 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A
SCHEMBL2576252 0.81 TERT (0.58) ALDH1A1SMN1; SMN2HPGDTOP1TOP2A

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 LGMN 3401/4885ALDH1A1 1707/4885SMN1; SMN2 3840/4885

“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.