SCHEMBL14906552

SCHEMBL14906552

Cc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCC(O)CC6)cc5[nH]4)cc3[nH]2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TOP1 P11387 3/20 0.53
TOP2A P11388 3/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 2/20 0.48
KMT2A Q03164 2/20 0.48
SLCO2B1 O94956 1/20 0.48
GLA P06280 1/20 0.48
RECQL P46063 1/20 0.48
BCL2L1 Q07817 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
CBFB Q13951 1/20 0.46
TERT O14746 3/20 0.46
KCNH2 Q12809 3/20 0.45

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
SCHEMBL14892249 0.90 TOP1 (0.41) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14906686 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14906536 0.87 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14906588 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14906737 0.84 CBFB (0.67) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL18973805 0.79 METAP2 (0.60) ALDH1A1SMN1; SMN2HPGDHSD17B10MEN1
SCHEMBL14906587 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14892185 0.77 TOP1 (0.41) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14892479 0.77 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL18973907 0.77 SMN1; SMN2 (0.51) 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.