SCHEMBL2025282

SCHEMBL2025282

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ERN1 O75460 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
CDK8 P49336 1/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL1279957 0.86 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL27555531 0.86 SLC6A4 (0.52) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2029610 0.84 TP53 (0.58) MAPTERN1ALDH1A1RAB9A
SCHEMBL2031327 0.82 CA12 (0.62) MAPTMEN1KMT2AERN1ALDH1A1
SCHEMBL29441715 0.81 MEN1 (0.65) MAPTMEN1KMT2AERN1ALDH1A1
SCHEMBL2878741 0.81 MEN1 (0.65) MAPTMEN1KMT2AERN1ALDH1A1
SCHEMBL1337055 0.80 MAPT (0.55) MAPTMEN1KMT2AGAARAB9A
SCHEMBL410498 0.80 GABRG2 (0.54) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL850817 0.80 GABRG2 (0.54) ERN1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3635549 0.79 MAPT (0.61) MAPTMEN1KMT2AALDH1A1MAPK1

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA MAPT 1949/4885MEN1 3752/4885KMT2A 724/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 MAPT 1907/4885MEN1 3594/4885KMT2A 700/4885

“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.