SCHEMBL6450069

SCHEMBL6450069

COc1ccc(O)c(-c2nc(-c3ncccc3OC)no2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
RAB9A P51151 9/20 0.49
TP53 P04637 8/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 3/20 0.47
GAA P10253 2/20 0.47
CYP19A1 P11511 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TSHR P16473 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
SCHEMBL6449061 0.92 NPC1 (0.53) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6452158 0.88 CYP19A1 (0.46) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6450674 0.88 SMN1; SMN2 (0.48) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6454178 0.87 CYP19A1 (0.46) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6454031 0.87 NPC1 (0.51) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6449959 0.84 CYP19A1 (0.43) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6454080 0.83 MAPT (0.52) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6450307 0.82 S1PR1 (0.51) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6448675 0.81 NR1H4 (0.48) NPC1SMN1; SMN2RAB9ATP53MAPT
SCHEMBL6454528 0.81 NPC1 (0.65) NPC1SMN1; SMN2RAB9ATP53MAPT

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.