SCHEMBL6453045

SCHEMBL6453045

Cc1cccnc1-c1noc(-c2c(O)ccc3ccccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 5/20 0.40
PKM P14618 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 3/20 0.40
TP53 P04637 2/20 0.40
S1PR1 P21453 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL6450816 0.85 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6449975 0.85 S1PR1 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1MAPT
SCHEMBL7049815 0.83 MAPT (0.48) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6452382 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6451316 0.81 MAPT (0.43) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6454319 0.81 METAP2 (0.38) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6451167 0.80 TP53 (0.63) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6450253 0.80 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6452535 0.78 CASP3 (0.60) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6456662 0.77 RAB9A (0.43) SMN1; SMN2NPC1RAB9APKML3MBTL1

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 4633/4885NPC1 59/4885RAB9A 2483/4885

“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.