SCHEMBL629211

SCHEMBL629211

O=C(O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63
KMO O15229 1/20 0.62
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
PKM P14618 1/20 0.58
RAB9A P51151 1/20 0.58
PAX8 Q06710 1/20 0.58
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
SRD5A2 P31213 1/20 0.54
ERN1 O75460 1/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXRA P19793 1/20 0.51

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
SCHEMBL8686215 1.00 TP53 (0.67) TP53POLBMAPK1KMOKDM4E
SCHEMBL7275462 0.88 TP53 (0.80) TP53KMOKDM4ETDP1MAPT
SCHEMBL1302830 0.85 ALDH1A1 (0.68) TP53POLBMAPK1KDM4ECES2
SCHEMBL3725488 0.85 TSHR (0.68) TP53POLBMAPK1CES2CES1
4-Nitrobenzoic Acid SCHEMBL28737108 0.84 TDP1 (0.66) TP53POLBMAPK1KDM4ETDP1
SCHEMBL29577419 0.84 KMO (0.87) KMOERN1GAALMNARXRA
SCHEMBL14683877 0.84 KMO (0.87) KMOERN1GAALMNARXRA
SCHEMBL3765312 0.83 TP53 (0.67) TP53POLBMAPK1TDP1MAPT
SCHEMBL12798161 0.83 RAB9A (0.64) TP53MAPK1KDM4ETDP1MAPT
4-Nitrobenzoic Acid SCHEMBL11648887 0.82 TDP1 (0.81) TP53POLBMAPK1TDP1MAPT

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 33 patents — showing the first 20. 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
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 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
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
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
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
US-5705686-A 3-MERCAPTO-2-AMINO-PROPYLAMINOBIPHENYL DERIVATIVES; PEPTIDOMIMETICS; ANTICARCINOGENIC AGENTS UNIVERSITY OF PITTSBURGH (US) 1998-01-06 US disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 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 TP53 163/4885POLB 5/4885MAPK1 4039/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 TP53 161/4885POLB 5/4885MAPK1 3831/4885

“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.