SCHEMBL6450451

SCHEMBL6450451

COc1ccc(-c2nc(-c3ccccn3)n[nH]2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
ALOX15 P16050 2/20 0.56
ALPL P05186 1/20 0.56
PKM P14618 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.50
HTT P42858 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
IDH1 O75874 1/20 0.49
GRK6 P43250 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RUNX1 Q01196 1/20 0.48

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
SCHEMBL6448635 0.92 SMN1; SMN2 (0.55) NPC1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL6452049 0.87 IDH1 (0.56) NPC1SMN1; SMN2RAB9AALOX15MAPK1
SCHEMBL6461029 0.85 SMN1; SMN2 (0.52) NPC1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL6450064 0.84 GRK6 (0.47) NPC1SMN1; SMN2RAB9AKDM4ENFKB1
SCHEMBL6449668 0.84 SMN1; SMN2 (0.55) NPC1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL23992261 0.83 NPC1 (0.57) NPC1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL6449669 0.83 MGAM (0.49) NPC1SMN1; SMN2RAB9AALOX15MAPK1
SCHEMBL6451923 0.82 SMN1; SMN2 (0.69) NPC1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL6456324 0.81 GAA (0.50) NPC1SMN1; SMN2RAB9ATDP1ALOX15
SCHEMBL6450529 0.80 GRK6 (0.46) NPC1SMN1; SMN2RAB9AKDM4ENFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC NPC1 59/4885SMN1; SMN2 4633/4885RAB9A 2483/4885

“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.