SCHEMBL6453797

SCHEMBL6453797

COc1ccc(O)c(-c2nc(-c3ncccc3[N+](=O)[O-])n[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
MAPT P10636 5/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 2/20 0.53
GFER P55789 1/20 0.53
GRK6 P43250 1/20 0.45
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 5/20 0.41
CYP19A1 P11511 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GUSB P08236 1/20 0.41
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
NOD2 Q9HC29 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 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
SCHEMBL6452557 0.85 GRK6 (0.43) GAAMAPTHPGDKMT2AGRK6
SCHEMBL6454610 0.83 GAA (0.51) GAAMAPTHPGDKMT2AGRK6
SCHEMBL6454080 0.83 MAPT (0.52) GAAMAPTHPGDKMT2AGFER
SCHEMBL6450070 0.82 GRK6 (0.47) GAAMAPTHPGDKMT2AGRK6
SCHEMBL6451506 0.80 CYP19A1 (0.54) GAAMAPTHPGDKMT2AGRK6
SCHEMBL6450017 0.80 GRK6 (0.44) GAAMAPTHPGDKMT2AGRK6
SCHEMBL6452435 0.78 MAPT (0.45) GAAMAPTHPGDKMT2AGFER
SCHEMBL6450636 0.77 GUSB (0.48) GAAMAPTHPGDKMT2AGFER
SCHEMBL6448635 0.76 SMN1; SMN2 (0.55) GAAMAPTHPGDKMT2AGRK6
SCHEMBL6451170 0.76 GRK6 (0.49) GAAMAPTKMT2AGRK6ALDH1A1

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 GAA 519/4885MAPT 2805/4885HPGD 258/4885

“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.