SCHEMBL121942

SCHEMBL121942

Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 11/20 1.00
GRIN3B O60391 11/20 1.00
GRIN1 Q05586 11/20 1.00
GRIN2A Q12879 11/20 1.00
GRIN2B Q13224 11/20 1.00
GRIN2C Q14957 11/20 1.00
GRIN3A Q8TCU5 11/20 1.00
GRIA1 P42261 4/20 0.64
GRIA2 P42262 4/20 0.64
GRIA3 P42263 4/20 0.64
GRIA4 P48058 4/20 0.64
HSD17B10 Q99714 2/20 0.56
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.55
MAPT P10636 2/20 0.55
TSHR P16473 2/20 0.55
BLM P54132 2/20 0.55

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
SCHEMBL5769722 0.83 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL762964 0.82 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24715694 0.81 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30807512 0.81 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30807513 0.81 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24876001 0.79 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14326945 0.79 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10045971 0.78 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24875986 0.78 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24875976 0.76 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152616-A1 NOVEL TRICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-02 US claimed
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed
EP-2696873-B1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA US HEALTH (US) 2022-08-03 EP disclosed
US-20210085679-A1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-03-25 US disclosed
US-10869865-B2 Plasmodial surface anion channel inhibitors for the treatment or prevention of malaria THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2020-12-22 US disclosed
CN-111808033-B Preparation method and application of novel compound with antibacterial effect 江西中医药大学 2020-12-15 CN disclosed
CN-111808033-A Preparation method and application of novel compound with antibacterial effect 江西中医药大学 2020-10-23 CN disclosed
US-20190183889-A1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-06-20 US disclosed
US-10265313-B2 Plasmodial surface anion channel inhibitors for the treatment or prevention of malaria THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-04-23 US disclosed
EP-3019498-B1 NOVEL TRICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2018-12-26 EP disclosed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO disclosed
EP-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5863917-A ANXIOLYTIC AGENT, ANTICONVULSANTS, ANALGESICS AND NEUROPROTECTIVES. PFIZER, INC. (US) 1999-01-26 US disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
EP-0792874-A1 Quinoxaline derivatives useful in therapy Pfizer Limited (GB) 1997-09-03 EP disclosed
US-5631373-A 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) 1997-05-20 US disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 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 (5 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-10265313-B2 Plasmodial surface anion channel inhibitors for the treatment or prevention of malaria CLIC1, SLC47A2, SLC47A1 GRIN2D 2224/4885GRIN3B 1259/4885GRIN1 1516/4885
US-10869865-B2 Plasmodial surface anion channel inhibitors for the treatment or prevention of malaria CLIC1, SLC47A2, SLC47A1 GRIN2D 2224/4885GRIN3B 1259/4885GRIN1 1516/4885
US-20160152616-A1 NOVEL TRICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF CCKAR, HKDC1, NRDC GRIN2D 1982/4885GRIN3B 1881/4885GRIN1 1945/4885
US-20210085679-A1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA CLIC1, SLC47A2, SLC47A1 GRIN2D 2224/4885GRIN3B 1259/4885GRIN1 1516/4885
US-20190183889-A1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA CLIC1, SLC47A2, SLC47A1 GRIN2D 2224/4885GRIN3B 1259/4885GRIN1 1516/4885

“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.