SCHEMBL404811

SCHEMBL404811

O=c1[nH]c2ccc(Cl)cc2c(O)c1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 11/20 0.79
GRIN3B O60391 11/20 0.79
GRIN1 Q05586 11/20 0.79
GRIN2A Q12879 11/20 0.79
GRIN2B Q13224 11/20 0.79
GRIN2C Q14957 11/20 0.79
GRIN3A Q8TCU5 11/20 0.79
HCRTR1 O43613 1/20 0.64
PKM P14618 1/20 0.64
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
FASN P49327 1/20 0.47
LMNA P02545 1/20 0.46
DAO P14920 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
SCHEMBL30881072 0.88 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8898836 0.88 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13295327 0.85 HCRTR1 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895896 0.84 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872833 0.83 GRIN2D (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896143 0.82 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8898790 0.82 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895544 0.82 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15828559 0.79 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8899188 0.79 GRIN2D (0.59) 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP 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
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
US-7192961-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
US-7192955-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
US-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2007-01-25 US disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 US disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 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 (3 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-20070021440-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 GRIN2D 3486/4885GRIN3B 2199/4885GRIN1 2833/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885

“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.