SCHEMBL6452344

SCHEMBL6452344

COc1ccc(-c2cc[nH]n2)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.51
TLR7 Q9NYK1 3/20 0.51
MAOB P27338 1/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
SYK P43405 1/20 0.46
ABCB1 P08183 3/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL28866549 0.91 MAOB (0.49) TLR9TLR7MAOBMAPTMAPK1
SCHEMBL6448897 0.90 MAOB (0.48) TLR9TLR7MAOBSYKABCB1
SCHEMBL28129013 0.81 BRD4 (0.54) TLR9TLR7HTR1ADRD2MAPT
SCHEMBL15657901 0.80 ALPL (0.55) TLR9TLR7MAPTNPC1RAB9A
SCHEMBL5759570 0.77 TLR9 (0.51) TLR9TLR7MAOBCYP11B1CYP11B2
SCHEMBL3103763 0.76 L3MBTL1 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12473775 0.76 MAOB (0.48) MAOBMAPTMAPK1NPSR1KDM4E
SCHEMBL3605628 0.75 PDE4A (0.49) HTR1AHDAC8MAPTNPC1RAB9A
SCHEMBL14341940 0.74 NOTUM (0.51) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13791570 0.74 MAOB (0.62) MAOBABCB1HTR1ADRD2HDAC8

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 1 patent. 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

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 TLR9 3277/4885TLR7 961/4885MAOB 1228/4885

“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.