SCHEMBL13698359

SCHEMBL13698359

O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.91
KMT2A Q03164 7/20 0.91
MAPT P10636 5/20 0.91
POLB P06746 2/20 0.91
BLM P54132 1/20 0.91
DDX3X O00571 1/20 0.73
HTT P42858 1/20 0.73
CTDSP1 Q9GZU7 1/20 0.73
SMN1; SMN2 Q16637 3/20 0.72
LMNA P02545 3/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
ALDH1A1 P00352 1/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
SETD7 Q8WTS6 2/20 0.68
ALOX5 P09917 4/20 0.67
KDM4E B2RXH2 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL18300094 0.95 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL32690121 0.95 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL9323220 0.94 MEN1 (0.81) MEN1KMT2AMAPTPOLBBLM
SCHEMBL11509150 0.94 MEN1 (0.80) MEN1KMT2AMAPTPOLBBLM
SCHEMBL9329754 0.93 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL10943066 0.92 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL8710919 0.90 MEN1 (0.80) MEN1KMT2AMAPTPOLBBLM
SCHEMBL6795867 0.90 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL16431080 0.90 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM
Iodide SCHEMBL30758621 0.89 MEN1 (0.83) MEN1KMT2AMAPTPOLBBLM

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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
WO-2007064227-A1 MULTIMERIC MAGENTIC RESONANCE CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-06-07 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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 MEN1 55/4885KMT2A 4110/4885MAPT 1028/4885

“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.