SCHEMBL3260447

SCHEMBL3260447

O=c1[nH]c2ccccc2c(O)c1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 1.00
GRIN3B O60391 9/20 1.00
GRIN1 Q05586 9/20 1.00
GRIN2A Q12879 9/20 1.00
GRIN2B Q13224 9/20 1.00
GRIN2C Q14957 9/20 1.00
GRIN3A Q8TCU5 9/20 1.00
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.61
IDE P14735 1/20 0.61
MPI P34949 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
S100A4 P26447 1/20 0.56
DAO P14920 1/20 0.51
DDO Q99489 1/20 0.51
HPGD P15428 1/20 0.49
PARP1 P09874 1/20 0.49

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
SCHEMBL8872873 0.90 GRIN2D (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873183 0.87 GRIN2D (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13295319 0.85 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873922 0.84 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895602 0.82 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7145476 0.80 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895896 0.80 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL404811 0.78 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896143 0.78 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8898790 0.78 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622965-A CENTRAL NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US claimed
EP-0688319-A4 4-HYDROXY-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS OREGON STATE (US) 1996-02-28 EP claimed
EP-0688319-A1 4-HYDROXY-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1995-12-27 EP claimed
WO-1994020470-A1 4-HYDROXY-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1994-09-15 WO claimed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
EP-1389110-B1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2010-03-24 EP disclosed
US-20100010217-A1 METHODS FOR THE PREPARATION OF IMIDAZOLE-CONTAINING COMPOUNDS NOVARTIS AG (CH) 2010-01-14 US disclosed
US-7514225-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2009-04-07 US disclosed
EP-2010530-A2 METHODS FOR THE PREPARATION OF IMIDAZOLE-CONTAINING COMPOUNDS Novartis AG (CH) 2009-01-07 EP disclosed
US-7435737-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTIALS (US) 2008-10-14 US disclosed
US-4988815-A 3-Amino or 3-nitro quinoline compounds which are intermediates in preparing 1H-imidazo[4,5-c]quinolines RIKER LABORATORIES, INC. (US) 1991-01-29 US disclosed
EP-0385630-A2 1H-imidazo(4,5-c)Quinolin-4-amines as antivirals RIKER LABORATORIES, INC. (US) 1990-09-05 EP disclosed
US-4192876-A ANTIALLERGENS SANDOZ, INC. (US) 1980-03-11 US disclosed
US-4192876-A ANTIALLERGENS SANDOZ, INC. (US) 1980-03-11 US disclosed
US-4192876-A ANTIALLERGENS SANDOZ, INC. (US) 1980-03-11 US disclosed
US-4065457-A ANTIBODY INHIBITORS BEECHAM GROUP LIMITED (GB) 1977-12-27 US disclosed
US-4065457-A ANTIBODY INHIBITORS BEECHAM GROUP LIMITED (GB) 1977-12-27 US disclosed
US-3962445-A Anti-allergenic carbostyril derivatives BEECHAM GROUP LIMITED (EN) 1976-06-08 US 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-20100010217-A1 METHODS FOR THE PREPARATION OF IMIDAZOLE-CONTAINING COMPOUNDS IDH3B, IDH3A, ABL1 GRIN2D 3126/4885GRIN3B 1931/4885GRIN1 4164/4885

“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.