SCHEMBL7276715

SCHEMBL7276715

O=C(O)C(Cc1c[nH]cn1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
DGAT1 O75907 1/20 0.41
DNMT1 P26358 1/20 0.41
HCAR3 P49019 2/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 6/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL7276719 1.00 CRHBP (0.44) CRHBPCRHR2DGAT1DNMT1HCAR3
Water SCHEMBL10716192 0.99 CRHBP (0.43) CRHBPCRHR2DGAT1DNMT1HCAR3
Hydrochloric Acid SCHEMBL6371205 0.99 CRHBP (0.43) CRHBPCRHR2DGAT1DNMT1HCAR3
SCHEMBL7371470 0.91 CRHBP (0.41) CRHBPCRHR2HCAR3MAPTTDP1
SCHEMBL6370508 0.89 MAPT (0.42) CRHBPCRHR2HCAR3MAPTTDP1
SCHEMBL26934247 0.88 MMP2 (0.43) CRHBPCRHR2DGAT1HCAR3MAPT
SCHEMBL14398078 0.88 ERN1 (0.39) DNMT1MAPTHTTALDH1A1KMT2A
SCHEMBL11095621 0.82 MMP2 (0.41) CRHBPCRHR2HCAR3MAPTTDP1
SCHEMBL11095963 0.81 MAPT (0.39) CRHBPCRHR2HCAR3MAPTTDP1
SCHEMBL1799219 0.81 KMT2A (0.43) MAPTTDP1KDM4EHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105168130-B A kind of tumour target polymer micella and preparation method thereof 安徽医科大学 2017-10-27 CN disclosed
CN-1125818-C Amino acid derivatives of substituted quinoxaline 2, 3 -dione derivativesa as glutamate receptor antagonists WARNER LAMBERT CO (US) 2003-10-29 CN disclosed
US-6455698-B1 FOR TREATING CEREBRAL ISCHEMIA OR CEREBRAL INFARCTION RESULTING FROM THROMBOEMBOLIC OR HEMORRHAGIC STROKE, CEREBRAL VASOSPASMS, HYPOGLYCEMIA, CARDIAC ARREST, NEURODEGENERATIVE DISORDERS WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
EP-0832074-B1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP disclosed
US-20020065415-A1 Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents KORNBERG BRIAN EDWARD (US) 2002-05-30 US disclosed
US-6340758-B1 DRUGS AS NEUROPROTECTIVE AGENTS INVENTION MAY ALSO BE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, EPILEPSY, ANXIETY, PAIN AND DRUG ADDICTION. WARNER-LAMBERT COMPANY 2002-01-22 US disclosed
US-6268366-B1 Amide derivatives of substituted quinoxaline 2,3-diones as glutamate receptor antagonists WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
US-6191134-B1 STROKE THERAPY, ANTIISCHEMIC AGENTS, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2001-02-20 US disclosed
CN-1187190-A Amino acid derivatives of substituted quinoxaline 2, 3-dione derivatives as glutamate receptor antagonists WARNER LAMBERT CO (US) 1998-07-08 CN disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed
WO-1996040649-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed
WO-1996000738-A1 ENDOTHELIN ANTAGONISTS II WARNER-LAMBERT COMPANY (US) 1996-01-11 WO disclosed
EP-0675902-A1 ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-10-11 EP disclosed
EP-0647236-A1 ENDOTHELIN ANTAGONISTS II WARNER-LAMBERT COMPANY (US) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
WO-1994014843-A1 ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-07-07 WO disclosed
WO-1993021219-A1 ENDOTHELIN ANTAGONISTS II WARNER-LAMBERT COMPANY (US) 1993-10-28 WO disclosed
WO-1992020706-A1 ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-11-26 WO disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 EP 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-20020065415-A1 Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents CBR1, CBR3, CHRNA7 CRHBP 2335/4885CRHR2 100/4885DGAT1 3525/4885

“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.