SCHEMBL6448952

SCHEMBL6448952

CCOc1ccc(-c2nc(-c3ncccc3C)no2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.50
MAPK1 P28482 4/20 0.50
GAA P10253 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
S1PR1 P21453 7/20 0.47
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 3/20 0.42

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
SCHEMBL6451861 0.92 TP53 (0.49) TP53MAPK1GAANPC1RAB9A
SCHEMBL6449934 0.89 ACACB (0.42) TP53MAPK1GAANPC1RAB9A
SCHEMBL6454139 0.88 NPC1 (0.47) TP53GAANPC1RAB9ASMN1; SMN2
SCHEMBL6448686 0.88 CYP3A4 (0.44) TP53MAPK1GAANPC1RAB9A
SCHEMBL6453920 0.86 GAA (0.52) TP53MAPK1GAANPC1RAB9A
SCHEMBL6451387 0.84 ACACB (0.43) TP53MAPK1GAANPC1RAB9A
SCHEMBL7047826 0.83 NPC1 (0.50) TP53MAPK1GAANPC1RAB9A
SCHEMBL6451221 0.82 NPC1 (0.47) TP53MAPK1GAANPC1RAB9A
SCHEMBL6450555 0.81 NPC1 (0.50) TP53GAANPC1RAB9ASMN1; SMN2
SCHEMBL6452158 0.81 CYP19A1 (0.46) TP53GAANPC1RAB9ASMN1; SMN2

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 TP53 107/4885MAPK1 4158/4885GAA 519/4885

“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.