SCHEMBL6457728

SCHEMBL6457728

COc1ccc(-c2nc(-c3ncccc3Br)no2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 5/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
NPC1 O15118 10/20 0.46
RAB9A P51151 8/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6454178 0.92 CYP19A1 (0.46) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6449061 0.87 NPC1 (0.53) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6454139 0.87 NPC1 (0.47) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6454743 0.84 NPC1 (0.56) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6449958 0.83 NPC1 (0.44) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6452435 0.81 MAPT (0.45) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6450529 0.81 GRK6 (0.46) SMN1; SMN2NFKB1NFKB2RELANPC1
SCHEMBL6452479 0.81 S1PR1 (0.52) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL6454623 0.80 NPC1 (0.67) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL6450069 0.79 NPC1 (0.49) SMN1; SMN2TP53NFKB1NFKB2RELA

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 SMN1; SMN2 4633/4885TP53 107/4885NFKB1 1490/4885

“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.