SCHEMBL6450814

SCHEMBL6450814

COc1ccc(O)c(-c2ccn(-c3ncccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 3/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 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
SCHEMBL6450649 0.86 ALDH1A1 (0.44) MAPTHPGDGAAKMT2AALDH1A1
SCHEMBL6448711 0.84 ALDH1A1 (0.46) MAPTHPGDKMT2AALDH1A1SMN1; SMN2
SCHEMBL6454162 0.83 CYP19A1 (0.46) MAPTHPGDGAAKMT2AALDH1A1
SCHEMBL6454370 0.82 ALDH1A1 (0.47) MAPTHPGDGAAKMT2AALDH1A1
SCHEMBL6449998 0.80 L3MBTL1 (0.47) MAPTHPGDKMT2AALDH1A1SMN1; SMN2
SCHEMBL6460828 0.79 CYP19A1 (0.43) MAPTHPGDGAAKMT2AALDH1A1
SCHEMBL6453147 0.79 POLB (0.44) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL6454408 0.76 IDH1 (0.46) MAPTHPGDGAAKMT2AALDH1A1
SCHEMBL6449917 0.76 MAPT (0.50) MAPTHPGDGAAGFERKMT2A
SCHEMBL6451085 0.72 IDH1 (0.43) MAPTKMT2AALDH1A1SMN1; SMN2NPC1

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 MAPT 2805/4885HPGD 258/4885GAA 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.