SCHEMBL6454367

SCHEMBL6454367

COc1ccc(O)c(-c2nc(-c3ccc(N)cn3)no2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.52
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
PKM P14618 3/20 0.42
GRM5 P41594 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP19A1 P11511 1/20 0.41
MAPT P10636 7/20 0.41
TP53 P04637 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40

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
SCHEMBL6449960 0.84 GRM5 (0.39) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL6461180 0.82 GRM5 (0.40) NPC1RAB9ASMN1; SMN2GRM5MAPT
SCHEMBL6454528 0.81 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL6457450 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6452145 0.78 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HSP90AA1CYP19A1
SCHEMBL6457310 0.77 MAPT (0.41) NPC1SMN1; SMN2MAPTTP53MEN1
SCHEMBL6448498 0.77 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2PKML3MBTL1
SCHEMBL7158427 0.75 CASP3 (0.49) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL7188135 0.74 CASP3 (0.42) NPC1RAB9ASMN1; SMN2PKMGRM5
SCHEMBL6451515 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HSP90AA1MAPT

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 2483/4885SMN1; SMN2 4633/4885

“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.