SCHEMBL14891706

SCHEMBL14891706

c1ccc(-c2nc3cc(-c4nc5cc(N6CCSCC6)ccc5[nH]4)ccc3[nH]2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 10/20 0.57
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
PKM P14618 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 1/20 0.51
METAP2 P50579 9/20 0.48
METAP1 P53582 7/20 0.48
HPGD P15428 2/20 0.48
MTOR P42345 1/20 0.48
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHEK2 O96017 1/20 0.42
ACHE P22303 1/20 0.41
RUNX1 Q01196 1/20 0.41

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
SCHEMBL12289536 0.89 CBFB (0.69) CBFBNPC1RAB9APKMLMNA
SCHEMBL20350768 0.89 CBFB (0.59) CBFBNPC1RAB9APKMLMNA
SCHEMBL2565858 0.87 CBFB (0.76) CBFBNPC1RAB9APKMLMNA
SCHEMBL14892245 0.87 CBFB (0.57) CBFBNPC1RAB9APKMLMNA
SCHEMBL14892719 0.86 CBFB (0.56) CBFBNPC1RAB9APKMLMNA
SCHEMBL14892344 0.85 CBFB (0.55) CBFBNPC1RAB9APKMLMNA
SCHEMBL14892368 0.85 CBFB (0.53) CBFBNPC1RAB9APKMLMNA
SCHEMBL14892162 0.85 CBFB (0.54) CBFBNPC1RAB9APKMLMNA
SCHEMBL125111 0.84 CBFB (0.67) CBFBNPC1RAB9APKMLMNA
SCHEMBL14892238 0.84 CBFB (0.53) CBFBNPC1RAB9APKMLMNA

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 CBFB 688/4885NPC1 230/4885RAB9A 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.