SCHEMBL463673

SCHEMBL463673

O=c1[nH]c2cc(F)c(Br)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 14/20 0.52
GRIN3B O60391 14/20 0.52
GRIN1 Q05586 14/20 0.52
GRIN2A Q12879 14/20 0.52
GRIN2B Q13224 14/20 0.52
GRIN2C Q14957 14/20 0.52
GRIN3A Q8TCU5 14/20 0.52
KDM4E B2RXH2 2/20 0.48
GRIA1 P42261 3/20 0.44
GRIA2 P42262 3/20 0.44
GRIA3 P42263 3/20 0.44
GRIA4 P48058 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL31748445 0.86 MAPT (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22725084 0.86 MAPT (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL123451 0.83 KDM4E (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4704929 0.83 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19207400 0.78 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23172280 0.75 IDO1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29909400 0.74 ALDH1A1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30504341 0.74 KDM4E (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25201307 0.74 KDM4E (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2731858 0.74 ALDH1A1 (0.47) 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 9 patents. 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE 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
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY 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) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE 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 (US) 1996-05-07 US disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885
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.