SCHEMBL6451114

SCHEMBL6451114

O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.66
RAB9A P51151 7/20 0.66
MAPT P10636 6/20 0.66
GRM5 P41594 6/20 0.66
PLCG2 P16885 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.50
PKM P14618 5/20 0.50
GAA P10253 2/20 0.50
MITF O75030 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 5/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL7050312 0.86 GRM5 (0.66) NPC1RAB9AMAPTGRM5PLCG2
SCHEMBL6450512 0.86 NPC1 (0.66) NPC1RAB9AMAPTGRM5PLCG2
SCHEMBL6449824 0.84 GRM5 (0.68) NPC1RAB9AMAPTGRM5PLCG2
SCHEMBL4599223 0.82 MAPT (0.54) NPC1RAB9AMAPTGRM5SMN1; SMN2
SCHEMBL6451118 0.82 TDP1 (0.45) NPC1RAB9AMAPTGRM5SMN1; SMN2
SCHEMBL6454119 0.81 SMN1; SMN2 (0.58) NPC1RAB9AMAPTGRM5SMN1; SMN2
SCHEMBL5959921 0.80 RAB9A (0.75) NPC1RAB9AMAPTGRM5PLCG2
SCHEMBL6451961 0.80 MEN1 (0.45) NPC1RAB9AMAPTGRM5GAA
SCHEMBL6453492 0.80 MAPT (0.48) NPC1RAB9AMAPTGRM5PLCG2
SCHEMBL2455727 0.80 RAB9A (1.00) NPC1RAB9AMAPTGRM5PLCG2

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 2483/4885MAPT 2805/4885

“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.