SCHEMBL4056837

SCHEMBL4056837

N#Cc1ccc([NH])c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.64
KAT2B Q92831 1/20 0.48
MAPT P10636 7/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MERTK Q12866 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4477143 0.82 VCAM1 (0.70) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL103929 0.81 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1RAB9A
SCHEMBL31326843 0.81 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1RAB9A
SCHEMBL8143514 0.79 VCAM1 (0.66) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL11592812 0.79 VCAM1 (0.66) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL10876367 0.78 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6516751 0.78 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL203082 0.78 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL323126 0.78 VCAM1 (0.64) VCAM1KAT2BMAPTMAPK1TDP1
SCHEMBL6463 0.78 VCAM1 (1.00) VCAM1KAT2BMAPTMAPK1TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US disclosed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US disclosed
US-6121239-A SPECIFIED TRI- AND TETRA-PEPTIDES SERBIO (FR) 2000-09-19 US disclosed
EP-0476107-B1 PROCESS FOR IDENTIFYING CANDIDA ALBICANS BY MEANS OF CHROMOGENIC SUBSTANCES STAGO DIAGNOSTICA (FR) 1996-06-19 EP disclosed
US-5449612-A Process for identifying candida by means of chromogenic substances SERBIO (FR) 1995-09-12 US disclosed
EP-0472670-B1 SYMMETRICAL BIPEPTIDES INCLUDING A POLYALKYLENE-GYLCOL GROUP, METHOD OF PREPARATION AND USE IN PROTEASE DETERMINATION SERBIO (FR) 1995-03-29 EP disclosed
EP-0472671-B1 PEPTIDE SUBSTRATES FOR Xa FACTOR IDENTIFICATION SERBIO (FR) 1995-03-15 EP disclosed
EP-0469102-B1 NOVEL PEPTIDE SUBSTRATES, METHOD OF PREPARATION AND USE IN C PROTEIN DETERMINATION SERBIO (FR) 1995-03-01 EP disclosed
US-5362851-A Tripeptides SERBIO (FR) 1994-11-08 US disclosed
EP-0476107-A1 PROCESS FOR IDENTIFYING CANDIDA BY MEANS OF CHROMOGENIC SUBSTANCES. SERBIO (FR) 1992-03-25 EP disclosed
EP-0472671-A1 PEPTIDE SUBSTRATES FOR Xa FACTOR IDENTIFICATION. SERBIO (FR) 1992-03-04 EP disclosed
EP-0472670-A1 SYMMETRICAL BIPEPTIDES INCLUDING A POLYALKYLENE-GYLCOL GROUP, METHOD OF PREPARATION AND USE IN PROTEASE DETERMINATION. SERBIO (FR) 1992-03-04 EP disclosed
EP-0469102-A1 NOVEL PEPTIDE SUBSTRATES, METHOD OF PREPARATION AND USE IN C PROTEIN DETERMINATION. SERBIO (FR) 1992-02-05 EP disclosed
WO-1991014787-A1 PROCESS FOR IDENTIFYING CANDIDA BY MEANS OF CHROMOGENIC SUBSTANCES SERBIO (FR) 1991-10-03 WO disclosed
WO-1991012268-A1 NOVEL PEPTIDE SUBSTRATES, METHOD OF PREPARATION AND USE IN C PROTEIN DETERMINATION SERBIO (FR) 1991-08-22 WO disclosed
WO-1991012338-A1 PEPTIDE SUBSTRATES FOR Xa FACTOR IDENTIFICATION SERBIO (FR) 1991-08-22 WO disclosed
WO-1991012263-A1 SYMMETRICAL BIPEPTIDES INCLUDING A POLYALKYLENE-GYLCOL GROUP, METHOD OF PREPARATION AND USE IN PROTEASE DETERMINATION SERBIO (FR) 1991-08-22 WO disclosed
EP-0280610-A1 Dipeptides, preparation process and use in dosing proteases SERBIO (FR) 1988-08-31 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES VCAM1 4140/4885KAT2B 4422/4885MAPT 3965/4885

“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.