SCHEMBL4888730

SCHEMBL4888730

COc1ccc([N+](=O)[O-])c(C=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.57
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL10501311 1.00 ERN1 (0.57) ERN1ALDH1A1MAPTKDM4ECYP3A4
Potassium Ion SCHEMBL10501328 0.98 ERN1 (0.55) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL10501123 0.93 ERN1 (0.50) ERN1ALDH1A1MAPTKDM4ECYP3A4
Potassium Ion SCHEMBL10501133 0.92 ERN1 (0.49) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL3212120 0.87 ERN1 (0.49) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL7411310 0.87 ERN1 (0.45) ERN1ALDH1A1MAPTTDP1HPGD
SCHEMBL10645648 0.83 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9315238 0.83 MAPT (0.43) ERN1ALDH1A1MAPTKDM4ETDP1
SCHEMBL1318577 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL68284 0.81 TDP1 (0.53) ERN1ALDH1A1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718598-B1 Auxiliary for amide bond formation THE UNIVERSITY OF QUEENSLAND (AU) 2010-05-18 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO disclosed
EP-0220786-B1 SUBSTITUTED QUINAZOLINONES ORTHO PHARMA CORP (US) 1990-11-22 EP disclosed
EP-0107398-B1 ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS ORTHO PHARMA CORP (US) 1988-06-08 EP disclosed
EP-0227450-A2 Substituted 5,6-Dialkoxyquinazoline Derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1987-07-01 EP disclosed
US-4672116-A CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-06-09 US disclosed
EP-0220786-A2 Substituted quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1987-05-06 EP disclosed
US-4639518-A CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-01-27 US disclosed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
EP-0176333-A2 Substituted quinazolinediones ORTHO PHARMACEUTICAL CORPORATION (US) 1986-04-02 EP disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 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 (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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN ERN1 4455/4885ALDH1A1 2175/4885MAPT 4661/4885

“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.