SCHEMBL6450815

SCHEMBL6450815

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALPL P05186 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
METAP2 P50579 1/20 0.47
KDM4E B2RXH2 3/20 0.43
ADORA2A P29274 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR2F2 P24468 1/20 0.42
NOTUM Q6P988 1/20 0.42
F2 P00734 1/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL6450502 0.88 ADORA2A (0.43) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6449765 0.85 ADORA2A (0.38) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6454586 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6449943 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6452275 0.83 MEN1 (0.39) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6450244 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6452734 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6453993 0.81 NPC1 (0.58) SMN1; SMN2NPC1RAB9ATDP1L3MBTL1
SCHEMBL6450827 0.81 NPSR1 (0.38) NPC1RAB9ATDP1L3MBTL1ALOX15
SCHEMBL6451270 0.81 KMT2A (0.40) NPC1RAB9ATDP1ALOX15HSD17B10

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.