SCHEMBL6454586

SCHEMBL6454586

Cc1ccc(O)c(-c2nc(-c3ccccn3)n[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
ALOX15 P16050 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
PKM P14618 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALPL P05186 1/20 0.58
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CYP19A1 P11511 1/20 0.47
GRK6 P43250 1/20 0.46
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL6449943 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6449913 0.87 CYP19A1 (0.51) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6453993 0.85 NPC1 (0.58) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6452734 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6450244 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6448635 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6450815 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6451923 0.84 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6449080 0.84 GRK6 (0.46) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL6448841 0.83 GRK6 (0.47) SMN1; SMN2NPC1RAB9ATDP1ALOX15

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.