SCHEMBL4263148

SCHEMBL4263148

O=C1COc2ccc(C=Cc3cccc([N+](=O)[O-])c3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.54
CYP19A1 P11511 1/20 0.53
NFE2L2 Q16236 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAF1 P04049 2/20 0.50
BRAF P15056 2/20 0.50
LMNA P02545 2/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
IGF1R P08069 1/20 0.47
FBP1 P09467 1/20 0.47
VCP P55072 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MMP12 P39900 1/20 0.46
GALK1 P51570 1/20 0.46

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
SCHEMBL13932063 1.00 NR3C2 (0.54) NR3C2CYP19A1NFE2L2ALDH1A1MEN1
SCHEMBL4267374 0.82 ALDH1A1 (0.67) NR3C2ALDH1A1KMT2ALMNAMAOB
SCHEMBL13932080 0.82 ALDH1A1 (0.67) NR3C2ALDH1A1KMT2ALMNAMAOB
SCHEMBL4264900 0.82 KMT2A (0.50) CYP19A1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL13932077 0.82 KMT2A (0.50) CYP19A1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL31490264 0.82 MAPT (0.60) NR3C2ALDH1A1KMT2ARAF1BRAF
SCHEMBL304014 0.82 MAPT (0.60) NR3C2ALDH1A1KMT2ARAF1BRAF
SCHEMBL4267779 0.81 NR3C2 (0.59) NR3C2ALDH1A1KMT2ALMNAMAPT
SCHEMBL13932054 0.81 NR3C2 (0.59) NR3C2ALDH1A1KMT2ALMNAMAPT
SCHEMBL13932083 0.80 MMP12 (0.65) NR3C2ALDH1A1KMT2ARAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 NR3C2 7/4885CYP19A1 54/4885NFE2L2 205/4885

“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.