SCHEMBL6450674

SCHEMBL6450674

COc1cccnc1-c1noc(-c2cc(C)ccc2O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.48
RAB9A P51151 11/20 0.48
NPC1 O15118 11/20 0.48
TP53 P04637 9/20 0.48
HSD17B10 Q99714 7/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 8/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 7/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 5/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 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
SCHEMBL6450069 0.88 NPC1 (0.49) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6454031 0.87 NPC1 (0.51) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6453543 0.85 NPC1 (0.46) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6449061 0.82 NPC1 (0.53) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6451920 0.81 CASP3 (0.51) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6452395 0.81 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6452158 0.79 CYP19A1 (0.46) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6449302 0.79 MAPT (0.49) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL6454197 0.78 S1PR1 (0.51) SMN1; SMN2RAB9ANPC1TP53HSD17B10
SCHEMBL6454549 0.77 TP53 (0.63) SMN1; SMN2RAB9ANPC1TP53HSD17B10

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 4633/4885RAB9A 2483/4885NPC1 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.