SCHEMBL14892811

SCHEMBL14892811

CN1CCCN(c2ccc3[nH]c(-c4ccc(N)c(N)c4)nc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TOP1 P11387 3/20 0.54
TOP2A P11388 3/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TERT O14746 4/20 0.52
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
SLCO2B1 O94956 1/20 0.50
GLA P06280 1/20 0.50
RECQL P46063 1/20 0.50
BCL2L1 Q07817 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
PDGFRB P09619 5/20 0.49
FGFR1 P11362 5/20 0.49

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
SCHEMBL1551571 0.96 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14669385 0.94 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL13528291 0.87 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL933054 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14892358 0.86 MAPT (0.50) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14892248 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL6530109 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14892180 0.82 TERT (0.54) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14665724 0.82 TERT (0.49) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL2554887 0.82 LGMN (0.48) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD

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 4 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

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 ALDH1A1 1707/4885SMN1; SMN2 3840/4885TOP1 132/4885

“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.