SCHEMBL6454528

SCHEMBL6454528

COc1ccc(O)c(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.65
RAB9A P51151 9/20 0.65
PKM P14618 9/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HSP90AA1 P07900 1/20 0.65
SMN1; SMN2 Q16637 10/20 0.65
GRM5 P41594 6/20 0.65
TP53 P04637 8/20 0.62
HSD17B10 Q99714 4/20 0.62
KDM4E B2RXH2 3/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MITF O75030 1/20 0.55
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
KLF5 Q13887 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL6454623 0.91 NPC1 (0.67) NPC1RAB9APKML3MBTL1HSP90AA1
SCHEMBL6451282 0.86 NPC1 (0.74) NPC1RAB9APKML3MBTL1HSP90AA1
SCHEMBL4188057 0.85 NPC1 (0.69) NPC1RAB9APKML3MBTL1HSP90AA1
SCHEMBL6454549 0.84 TP53 (0.63) NPC1RAB9APKML3MBTL1SMN1; SMN2
SCHEMBL6454119 0.83 SMN1; SMN2 (0.58) NPC1RAB9APKML3MBTL1SMN1; SMN2
SCHEMBL4195322 0.82 NPC1 (0.61) NPC1RAB9APKML3MBTL1HSP90AA1
SCHEMBL6449030 0.81 GRM5 (0.64) NPC1RAB9APKML3MBTL1SMN1; SMN2
SCHEMBL6454607 0.81 GRM5 (0.62) NPC1RAB9APKML3MBTL1SMN1; SMN2
SCHEMBL4194624 0.81 GRM5 (0.72) NPC1RAB9APKML3MBTL1SMN1; SMN2
SCHEMBL6454367 0.81 NPC1 (0.52) NPC1RAB9APKML3MBTL1HSP90AA1

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 59/4885RAB9A 2483/4885PKM 2206/4885

“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.