SCHEMBL6452064

SCHEMBL6452064

O=[N+]([O-])c1cccnc1-c1noc(-c2cc(O)ccc2O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 9/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HPGD P15428 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CTSB P07858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL6451234 0.91 MAPT (0.45) MAPK1HSP90AA1HSP90AB1MAPTRAB9A
SCHEMBL6451118 0.90 TDP1 (0.45) MAPK1MAPTRAB9ANPC1ALDH1A1
SCHEMBL6449963 0.89 MAPT (0.52) MAPK1HSP90AA1MAPTRAB9ANPC1
SCHEMBL6449302 0.89 MAPT (0.49) MAPK1MAPTRAB9ANPC1ALDH1A1
SCHEMBL6451372 0.89 MAPK1 (0.41) MAPK1HSP90AA1HSP90AB1MAPTRAB9A
SCHEMBL6454629 0.87 CASP3 (0.54) MAPK1MAPTRAB9ANPC1ALDH1A1
SCHEMBL6454080 0.86 MAPT (0.52) MAPK1MAPTRAB9ANPC1ALDH1A1
SCHEMBL6452435 0.83 MAPT (0.45) MAPK1MAPTRAB9ANPC1ALDH1A1
SCHEMBL6452697 0.80 NPC1 (0.45) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL6451316 0.78 MAPT (0.43) HSP90AA1HSP90AB1MAPTRAB9ANPC1

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 MAPK1 4158/4885HSP90AA1 1213/4885HSP90AB1 1073/4885

“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.