Quisqualate

Quisqualate

SCHEMBL3674132

NC(Cn1oc(=O)[nH]c1=O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
GRM5 P41594 2/20 1.00
KDM4E B2RXH2 2/20 1.00
BLM P54132 2/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
FOLH1 Q04609 1/20 1.00
GRM1 Q13255 1/20 1.00
GRM3 Q14832 1/20 1.00
HIF1A Q16665 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
SLC7A11 Q9UPY5 1/20 1.00
GRM2 Q14416 1/20 0.71
GRIA1 P42261 9/20 0.45
GRIA2 P42262 9/20 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
Quisqualate SCHEMBL136819 1.00 CYP1A2 (1.00) CYP1A2GRM5KDM4EBLMKMT2A
Quisqualate SCHEMBL27790631 0.98 CYP1A2 (0.97) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL31532299 0.83 GRM5 (1.00) CYP1A2GRM5KDM4EBLMKMT2A
Quisqualate SCHEMBL7928396 0.80 FOLH1 (0.64) CYP1A2GRM5KDM4EBLMKMT2A
Quisqualate SCHEMBL15528499 0.80 CYP1A2 (0.64) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL26036945 0.74 GRM5 (0.58) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL14255773 0.72 ALDH1A1 (0.56) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL24115280 0.69 GRM5 (0.53) CYP1A2GRM5KDM4EBLMKMT2A
Quisqualate SCHEMBL13319908 0.68 KDM4E (0.51) CYP1A2GRM5KDM4EBLMKMT2A
SCHEMBL31532300 0.67 GRM5 (0.55) CYP1A2GRM5KDM4EBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 EP claimed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 CN claimed
EP-3311842-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS VeroScience LLC (US) 2018-04-25 EP claimed
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-05-12 US claimed
WO-2005007106-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A NON-NMDA GLUTAMATE MODULATOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20240215891-A1 Bio-Electrode Composition, Bio-Electrode, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240215891-A1 Bio-Electrode Composition, Bio-Electrode, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240215890-A1 Bio-Electrode, Bio-Electrode Composition, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 CN disclosed
US-20210380738-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-09 US disclosed
WO-2002102768-A2 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS THE ROCKEFELLER UNIVERSITY (US) 2002-12-27 WO disclosed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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 (4 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 CYP1A2 602/4885GRM5 1798/4885KDM4E 2706/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 CYP1A2 1355/4885GRM5 4824/4885KDM4E 3959/4885
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage GRIN1, GRIN2A, GRIN2B CYP1A2 1832/4885GRM5 15/4885KDM4E 2920/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 CYP1A2 315/4885GRM5 4707/4885KDM4E 643/4885

“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.