SCHEMBL2029610

SCHEMBL2029610

O=C(O)c1cccc(-c2ccc([N+](=O)[O-])cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LDHA P00338 1/20 0.50
CSNK2A1 P68400 1/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KMO O15229 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ERN1 O75460 1/20 0.45

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
SCHEMBL2025282 0.84 MAPT (0.65) MAPTRAB9AALDH1A1ERN1
SCHEMBL2947694 0.84 TDP1 (0.61) TP53LDHANPC1RAB9ASMN1; SMN2
SCHEMBL14988369 0.84 NPC1 (0.50) KEAP1NFE2L2KDM4EMAPTNPC1
SCHEMBL6231939 0.83 RAB9A (0.60) KEAP1NFE2L2MAPTNPC1RAB9A
SCHEMBL71038 0.81 LMNA (0.54) KDM4ELDHAMAPTNPC1PKM
SCHEMBL1279957 0.81 MAPT (0.56) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL629211 0.80 TP53 (0.67) TP53KEAP1NFE2L2KDM4EMAPT
SCHEMBL8686215 0.80 TP53 (0.67) TP53KEAP1NFE2L2KDM4EMAPT
SCHEMBL14988297 0.80 POLB (0.63) LDHAMAPTNPC1RAB9A
SCHEMBL31243316 0.80 LDHA (0.77) LDHANPC1RAB9ASMN1; SMN2KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 WO disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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 (3 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 TP53 866/4885KEAP1 1187/4885NFE2L2 919/4885
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA TP53 163/4885KEAP1 1009/4885NFE2L2 555/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 TP53 161/4885KEAP1 963/4885NFE2L2 534/4885

“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.