SCHEMBL6449963

SCHEMBL6449963

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
HPGD P15428 4/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPK1 P28482 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
ABCB1 P08183 1/20 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
SCHEMBL6452064 0.89 MAPK1 (0.43) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6451118 0.88 TDP1 (0.45) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6451372 0.87 MAPK1 (0.41) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6449302 0.87 MAPT (0.49) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6451234 0.87 MAPT (0.45) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6454629 0.85 CASP3 (0.54) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6454080 0.84 MAPT (0.52) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6452464 0.81 GRM5 (0.45) MAPTRAB9ANPC1HPGDKMT2A
SCHEMBL6449629 0.79 RAB9A (0.47) MAPTRAB9ANPC1HPGDNFKB1
SCHEMBL6452435 0.79 MAPT (0.45) MAPTRAB9ANPC1HPGDNFKB1

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 MAPT 2805/4885RAB9A 2483/4885NPC1 59/4885

“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.