SCHEMBL6451778

SCHEMBL6451778

COc1cccc(-c2nc(-c3ccc(NC(C)=O)cn3)no2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
FYN P06241 1/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL6452306 0.87 KDM4E (0.44) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL6448498 0.81 SMN1; SMN2 (0.53) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL6451515 0.81 NPC1 (0.46) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL6457450 0.80 NPC1 (0.45) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL6456682 0.78 NPC1 (0.79) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL6453931 0.77 MAPT (0.43) TP53NPC1RAB9AKDM4EGAA
SCHEMBL6451286 0.76 MAPT (0.42) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL6452395 0.72 SMN1; SMN2 (0.54) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL6454831 0.69 MAPT (0.42) TP53NPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL6448850 0.69 SMN1; SMN2 (0.51) TP53NPC1RAB9AKDM4EHSD17B10

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 TP53 107/4885NPC1 59/4885RAB9A 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.