SCHEMBL7199262

SCHEMBL7199262

O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1.[Eu+3].[Eu+3].[Eu+3].[Eu+3]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CA12 O43570 8/20 0.36
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA9 Q16790 8/20 0.36
CA14 Q9ULX7 4/20 0.36
POLB P06746 2/20 0.36
NFKB1 P19838 4/20 0.35
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL29730191 0.90 TXN (0.41) TXNMEN1KMT2AMAPTCACNA1B
SCHEMBL18112561 0.81 CYP19A1 (0.36) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1782379 0.80 ALDH1A1 (0.33) MEN1KMT2AMAPTCA1CA2
SCHEMBL1784625 0.80 LTB4R (0.35) MEN1KMT2AMAPTALDH1A1
SCHEMBL18112512 0.79 CYP19A1 (0.35) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1786817 0.75 CNR1 (0.34)
SCHEMBL13997749 0.71 LTB4R (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13997750 0.69 LTB4R (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9594349 0.69 LTB4R (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6841224 0.68 MCL1 (0.40) MAPTPOLBALDH1A1MAPK1

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-20030113769-A1 Aminooxy functionalized oligomers, oligomer arrays and methods of using them IONIS PHARMACEUTICALS, INC. 2003-06-19 US disclosed
US-6576752-B1 Oligonucleotide comprising a plurality of nucleotide units of given structure; useful for diagnostic, therapeutic and investigative purposes ISIS PHARMACEUTICALS, INC. 2003-06-10 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-20030113769-A1 Aminooxy functionalized oligomers, oligomer arrays and methods of using them RNGTT, RNMT, DCLRE1B TXN 920/4885MEN1 4650/4885KMT2A 2992/4885

“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.