SCHEMBL15544684

SCHEMBL15544684

CC(=O)OCC(COS(=O)(=O)c1ccccc1[N+](=O)[O-])n1cc(Cn2cnc([N+](=O)[O-])c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL15544042 0.89 PKM (0.38) PKMALDH1A1TAAR1SMN1; SMN2HPGD
SCHEMBL15544602 0.87 PKM (0.35) PKMALDH1A1TAAR1SMN1; SMN2L3MBTL1
SCHEMBL15544464 0.86 ALDH1A1 (0.36) PKMALDH1A1TAAR1L3MBTL1
SCHEMBL15544095 0.84 THRB (0.31) THRB
SCHEMBL941576 0.84 CYP3A4 (0.33) THRBKMT2ACYP19A1CA1CA2
SCHEMBL15545174 0.84 THRB (0.32) PKMALDH1A1THRBGAA
SCHEMBL15544218 0.83 GUSB (0.42) ALDH1A1GAAMEN1KMT2ACA1
SCHEMBL16367376 0.83 ALDH1A1 (0.38) PKMALDH1A1TAAR1SMN1; SMN2L3MBTL1
SCHEMBL16367422 0.83 ALDH1A1 (0.38) PKMALDH1A1TAAR1SMN1; SMN2L3MBTL1
SCHEMBL15544186 0.82 CYP19A1 (0.37) THRBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
EP-2793871-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION Auckland Uniservices Limited (NZ) 2014-10-29 EP disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB PKM 867/4885ALDH1A1 140/4885TAAR1 1281/4885

“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.