SCHEMBL2551987

SCHEMBL2551987

COc1cc2nc(-c3ccccn3)[nH]c2cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
RUNX1 Q01196 1/20 0.58
CBFB Q13951 11/20 0.56
METAP2 P50579 3/20 0.56
METAP1 P53582 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
PKM P14618 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
GCK P35557 3/20 0.54
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL2551982 0.95 NPC1 (0.58) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL14906668 0.86 CBFB (0.54) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL179142 0.85 NPC1 (0.69) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL15780004 0.82 CBFB (0.75) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL179149 0.81 NPC1 (0.63) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL1656372 0.79 GCK (0.63) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL17492287 0.78 CBFB (0.64) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL1657642 0.78 GCK (0.62) CBFBGCK
SCHEMBL1656346 0.76 GCK (0.71) CBFBGCKCYP3A4CYP2C19
SCHEMBL1657222 0.75 GCK (0.50) NPC1RAB9ARUNX1CBFBSMN1; 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 7 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
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 2599/4885RUNX1 1316/4885

“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.