SCHEMBL6448855

SCHEMBL6448855

CN(C)c1ccc(-c2nc(-c3ccccn3)no2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.56
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
PKM P14618 8/20 0.56
GAA P10253 2/20 0.56
MITF O75030 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 10/20 0.56
HSD17B10 Q99714 6/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 6/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GRM5 P41594 7/20 0.55
MAPK1 P28482 2/20 0.52
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.49
KLF5 Q13887 2/20 0.49

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
SCHEMBL4198081 0.81 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9APKMGAA
SCHEMBL7049265 0.81 NPC1 (0.51) SMN1; SMN2NPC1RAB9APKMGAA
SCHEMBL6452338 0.80 MAPT (0.57) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL6454623 0.80 NPC1 (0.67) SMN1; SMN2NPC1RAB9APKMGAA
SCHEMBL4192731 0.80 GRM5 (0.70) SMN1; SMN2NPC1RAB9APKMMITF
SCHEMBL6453098 0.79 MAPT (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL6454549 0.77 TP53 (0.63) SMN1; SMN2NPC1RAB9APKMGAA
SCHEMBL6454119 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9APKMGAA
SCHEMBL6449030 0.74 GRM5 (0.64) SMN1; SMN2NPC1RAB9APKMGAA
SCHEMBL6454607 0.74 GRM5 (0.62) SMN1; SMN2NPC1RAB9APKMGAA

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.