SCHEMBL2554510

SCHEMBL2554510

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
PKM P14618 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 1/20 0.58
CBFB Q13951 10/20 0.55
METAP2 P50579 8/20 0.55
METAP1 P53582 6/20 0.55
HPGD P15428 2/20 0.55
MTOR P42345 1/20 0.55
AURKA O14965 2/20 0.49
RUNX1 Q01196 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GUSB P08236 1/20 0.47

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
SCHEMBL125201 0.94 CBFB (0.62) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL12287269 0.88 CBFB (0.61) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL12286754 0.86 CBFB (0.52) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL13866553 0.84 NPC1 (0.74) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL14903355 0.84 CBFB (0.50) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL14891955 0.84 NPC1 (0.48) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL18025638 0.83 CBFB (0.68) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL14892104 0.82 NPC1 (0.54) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL25145114 0.81 CBFB (0.56) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL10351277 0.80 NPC1 (0.68) NPC1RAB9APKMLMNASMN1; 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 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 NPC1 230/4885RAB9A 2599/4885PKM 3359/4885

“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.