SCHEMBL6452828

SCHEMBL6452828

O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccn3)n[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
ALPL P05186 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GRK6 P43250 1/20 0.52
MAPT P10636 7/20 0.49
KDM4E B2RXH2 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
METAP1 P53582 1/20 0.49
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALOX12 P18054 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
PAX8 Q06710 1/20 0.46
GRM5 P41594 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
SCHEMBL6454074 0.88 GRK6 (0.56) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL6449979 0.85 GRK6 (0.51) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL6454593 0.83 GRK6 (0.51) NPC1RAB9ASMN1; SMN2TDP1GRK6
SCHEMBL6449943 0.82 SMN1; SMN2 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL6451170 0.81 GRK6 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL6449701 0.81 GRK6 (0.49) NPC1RAB9ASMN1; SMN2TDP1PKM
SCHEMBL4599223 0.81 MAPT (0.54) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL6449907 0.81 GRK6 (0.48) NPC1RAB9ASMN1; SMN2TDP1GRK6
SCHEMBL6452160 0.80 RAB9A (0.62) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL6454836 0.80 GRK6 (0.48) NPC1RAB9ASMN1; SMN2TDP1GRK6

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 NPC1 59/4885RAB9A 2483/4885L3MBTL1 4366/4885

“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.