SCHEMBL12286754

SCHEMBL12286754

CN(CCO)c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccccn5)nc4c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 0.52
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
PKM P14618 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
METAP2 P50579 8/20 0.48
METAP1 P53582 6/20 0.48
HPGD P15428 3/20 0.47
MTOR P42345 1/20 0.47
RUNX1 Q01196 1/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GUSB P08236 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL14903355 0.94 CBFB (0.50) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL14891955 0.88 NPC1 (0.48) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL2554510 0.86 NPC1 (0.58) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL125201 0.79 CBFB (0.62) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL14903469 0.79 KDM4E (0.43) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL13866553 0.78 NPC1 (0.74) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL12287556 0.78 NPC1 (0.54) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL14891841 0.77 ACHE (0.62) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL14892370 0.76 NPC1 (0.49) CBFBNPC1RAB9APKMSMN1; SMN2
SCHEMBL14892104 0.76 NPC1 (0.54) CBFBNPC1RAB9APKMSMN1; 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 8 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
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-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
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US 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 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.