SCHEMBL6448628

SCHEMBL6448628

COc1cccc(-c2nc(-c3ncccc3[N+](=O)[O-])no2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MAPT P10636 7/20 0.46
TP53 P04637 6/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
S1PR1 P21453 3/20 0.46
ALDH1A1 P00352 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL6452395 0.85 SMN1; SMN2 (0.54) MAPTTP53POLBGAANPC1
SCHEMBL6448850 0.82 SMN1; SMN2 (0.51) MAPTTP53POLBGAANPC1
SCHEMBL6453815 0.81 SMN1; SMN2 (0.50) MAPTTP53POLBGAANPC1
SCHEMBL6452435 0.81 MAPT (0.45) MAPK1MAPTTP53POLBTDP1
SCHEMBL6454629 0.81 CASP3 (0.54) MAPK1MAPTTP53POLBTDP1
SCHEMBL6451393 0.81 SMN1; SMN2 (0.53) MAPTTP53POLBTDP1GAA
SCHEMBL6454080 0.80 MAPT (0.52) MAPK1MAPTTP53POLBTDP1
SCHEMBL6449956 0.79 SMN1; SMN2 (0.47) MAPTTP53POLBGAANPC1
SCHEMBL6450875 0.78 MAPT (0.56) MAPK1MAPTTP53POLBTDP1
SCHEMBL6449381 0.77 NPC1 (0.58) MAPK1MAPTTP53POLBTDP1

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 MAPK1 4158/4885MAPT 2805/4885TP53 107/4885

“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.