SCHEMBL6453601

SCHEMBL6453601

CCN(CC)c1ccc(-c2nc(-c3ccccn3)n[nH]2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
ALOX15 P16050 2/20 0.52
ALPL P05186 1/20 0.52
PKM P14618 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GRK6 P43250 2/20 0.52
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
PRSS1 P07477 1/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ADORA2A P29274 1/20 0.40
NOTUM Q6P988 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
SCHEMBL6452551 0.88 GRK6 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL6452705 0.85 GRK6 (0.51) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL6452115 0.82 GRK6 (0.50) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL6450488 0.81 GRK6 (0.49) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL6451280 0.81 GRK6 (0.48) L3MBTL1NPC1RAB9AHSD17B10GRK6
SCHEMBL6448759 0.80 GRK6 (0.48) L3MBTL1NPC1RAB9AGRK6F2
SCHEMBL6451923 0.79 SMN1; SMN2 (0.69) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL6450451 0.78 NPC1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL6461029 0.75 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1
SCHEMBL6453993 0.75 NPC1 (0.58) SMN1; SMN2L3MBTL1NPC1RAB9ATDP1

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 4633/4885L3MBTL1 4366/4885NPC1 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.