SCHEMBL6449815

SCHEMBL6449815

COc1cc(O)c(-c2nc(-c3ncccc3-c3ccccc3)no2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.49
NPC1 O15118 12/20 0.49
SMN1; SMN2 Q16637 10/20 0.49
TP53 P04637 8/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.43
PKM P14618 2/20 0.43
GRM5 P41594 1/20 0.43
GAA P10253 2/20 0.42
NFKB1 P19838 3/20 0.42

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
SCHEMBL6454743 0.85 NPC1 (0.56) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6453548 0.85 NR1H4 (0.41) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6451393 0.80 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6453920 0.77 GAA (0.52) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6448799 0.76 CASP3 (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6449061 0.75 NPC1 (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6451920 0.74 CASP3 (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6452382 0.74 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6452338 0.72 MAPT (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6450069 0.72 NPC1 (0.49) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 RAB9A 2483/4885NPC1 59/4885SMN1; 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.