SCHEMBL458846

SCHEMBL458846

O=c1[nH]cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
DAO P14920 1/20 0.48
DYRK1A Q13627 1/20 0.44
TSHR P16473 3/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 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
SCHEMBL3293088 0.78 ALDH1A1 (0.63) KDM4ETSHRGRIN2DGRIN3BGRIN1
SCHEMBL4544154 0.76 KDM4E (1.00) KDM4EDAOTSHRGRIN2DGRIN3B
SCHEMBL3863268 0.76 KDM4E (0.61) KDM4ETSHRGRIN2DGRIN3BGRIN1
SCHEMBL173688 0.76 KDM4E (0.61) KDM4ETSHRGRIN2DGRIN3BGRIN1
SCHEMBL5137768 0.76 KDM4E (0.61) KDM4ETSHRGRIN2DGRIN3BGRIN1
SCHEMBL827223 0.72
SCHEMBL6249816 0.72 KDM4E (0.61) KDM4ETSHRGRIN2DGRIN3BGRIN1
SCHEMBL20945207 0.72 KDM4E (0.61) KDM4EDAOTSHRGRIN2DGRIN3B
SCHEMBL4912309 0.72 KDM4E (0.56) KDM4ETSHRLMNAGRIK1GRIA1
SCHEMBL4057148 0.72 KDM4E (0.61) KDM4ETSHRGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
EP-2948453-B1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS PHARMA AG (CH) 2015-12-10 US disclosed
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS PHARMA AG (CH) 2015-12-10 US disclosed
WO-2014115080-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2014-07-31 WO disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
CN-1279682-A bicyclic kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-01-10 CN disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 WO disclosed
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 US 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 (6 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 KDM4E 4225/4885DAO 4055/4885DYRK1A 3110/4885
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP KDM4E 1753/4885DAO 2005/4885DYRK1A 1048/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 KDM4E 4225/4885DAO 4055/4885DYRK1A 3110/4885
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION TP53, MDM4, MDM2 KDM4E 2728/4885DAO 2476/4885DYRK1A 1752/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 KDM4E 4225/4885DAO 4055/4885DYRK1A 3110/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP KDM4E 1753/4885DAO 2005/4885DYRK1A 1048/4885

“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.