SCHEMBL6453548

SCHEMBL6453548

COc1cc(O)c(-c2nc(-c3ncccc3C)no2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
TP53 P04637 4/20 0.40
TSHR P16473 1/20 0.40
S1PR1 P21453 6/20 0.40
NPC1 O15118 9/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 5/20 0.38
GRM5 P41594 1/20 0.38
GAA P10253 2/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL6449815 0.85 RAB9A (0.49) NR1H4TP53TSHRS1PR1NPC1
SCHEMBL6456662 0.85 RAB9A (0.43) TP53TSHRS1PR1NPC1RAB9A
SCHEMBL6454139 0.83 NPC1 (0.47) NR1H4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL6452158 0.80 CYP19A1 (0.46) NR1H4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL6451277 0.78 SMN1; SMN2 (0.50) NR1H4TP53TSHRS1PR1NPC1
SCHEMBL6449061 0.76 NPC1 (0.53) TP53TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6448850 0.76 SMN1; SMN2 (0.51) NR1H4TP53TSHRS1PR1NPC1
SCHEMBL6449961 0.75 NPC1 (0.66) TP53TSHRS1PR1NPC1RAB9A
SCHEMBL6448675 0.75 NR1H4 (0.48) NR1H4TP53TSHRS1PR1NPC1
SCHEMBL7049815 0.75 MAPT (0.48) NR1H4TP53TSHRS1PR1NPC1

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 NR1H4 4/4885TP53 107/4885TSHR 4398/4885

“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.