SCHEMBL5969919

SCHEMBL5969919

O=C([O-])c1cc([N+](=O)[O-])[nH]n1.[Cs+]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
DYRK1A Q13627 1/20 0.33
HCAR2 Q8TDS4 3/20 0.32
DAO P14920 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CASP6 P55212 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
CYTH3 O43739 1/20 0.30
BTK Q06187 1/20 0.30
EPN1 Q9Y6I3 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL26820 0.83 HPGD (0.54) HPGDHCAR2DAOCYTH3BTK
SCHEMBL42514 0.81 HPGD (0.52) HPGDDYRK1AHCAR2DAOLMNA
Hydrochloric Acid SCHEMBL27727584 0.81 HPGD (0.52) HPGDHCAR2DAOCYTH3BTK
SCHEMBL5013388 0.81 HPGD (0.52) HPGDDYRK1AHCAR2DAOLMNA
SCHEMBL15981916 0.81 HPGD (0.52) HPGDDYRK1AHCAR2DAOLMNA
SCHEMBL17928435 0.78 HPGD (0.49) HPGDDYRK1AHCAR2DAOLMNA
SCHEMBL18680106 0.77 HPGD (0.49) HPGDDYRK1AHCAR2DAOLMNA
SCHEMBL25449 0.77 MAPK1 (0.57) HPGDDYRK1AHCAR2SMN1; SMN2MEN1
SCHEMBL6305513 0.77 HPGD (0.49) HPGDDYRK1AHCAR2DAOLMNA
SCHEMBL14620257 0.77 HPGD (0.49) HPGDDYRK1AHCAR2DAOALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128608-A1 Novel chemical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2006-06-15 US 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-20060128608-A1 Novel chemical compounds and their use PGLS, ABCG2, UGCG HPGD 252/4885CA1 4456/4885CA2 2364/4885

“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.