SCHEMBL989659

SCHEMBL989659

O=C(O)C=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
PTGES O14684 1/20 0.53
PTGS2 P35354 1/20 0.51
RHOA P61586 2/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GPR35 Q9HC97 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAOB P27338 1/20 0.48
CES2 O00748 1/20 0.47
HIF1A Q16665 1/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL1174503 1.00 MAPT (0.64) MAPTPTGESPTGS2RHOAALDH1A1
SCHEMBL3602553 1.00 MAPT (0.64) MAPTPTGESPTGS2RHOAALDH1A1
SCHEMBL20493434 0.90 RHOA (0.58) MAPTPTGESPTGS2RHOAALDH1A1
SCHEMBL4933000 0.86 PTGS2 (0.54) MAPTPTGESPTGS2ALDH1A1KMT2A
SCHEMBL8153356 0.86 TDP1 (0.50) MAPTPTGS2ALDH1A1KMT2AMAPK1
SCHEMBL4933003 0.86 PTGS2 (0.54) MAPTPTGESPTGS2ALDH1A1KMT2A
SCHEMBL8153352 0.86 TDP1 (0.50) MAPTPTGS2ALDH1A1KMT2AMAPK1
SCHEMBL13767769 0.84 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMAPK1TDP1
SCHEMBL9658637 0.84 MAPT (0.64) MAPTPTGS2KMT2ASMN1; SMN2MAOB
SCHEMBL9658649 0.84 MAPT (0.64) MAPTPTGS2KMT2ASMN1; SMN2MAOB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343072-A 1-substituted cinnamoyl-2-oxo lycorine compound and preparation method and application thereof 山东达因海洋生物制药股份有限公司 2024-01-05 CN disclosed
US-9115151-B2 Substituted 2,10-dihydro-9-oxa-1,2,4A-triazaphenanthren-3-ones and uses thereof ABBVIE INC. (US) 2015-08-25 US disclosed
US-20140206663-A1 TRIAZINONE COMPOUNDS WUXI APPTECH (SHANGHAI) CO., LTD. (CN) 2014-07-24 US disclosed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO disclosed
EP-2275870-A1 Method of manufacturing cylinder-shaped flexographic plates using digital images Flint Group Germany GmbH (DE) 2011-01-19 EP disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
EP-1146083-B1 USE OF A RESIN MATERIAL FOR ELECTRICAL INSULATING AND ELECTRIC WIRE AND CABLE USING THE SAME JAPAN POLYOLEFINS CO LTD (JP) 2005-01-05 EP disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO disclosed
US-6479590-B1 Electrical insulating resin material, electrical insulating material, and electric wire and cable using the same JAPAN POLYOLEFINS CO., LTD. (JP) 2002-11-12 US disclosed
EP-1213615-A2 Photosensitive flexographic printing element having at least two infrared ablatable layers BASF Drucksysteme GmbH (DE) 2002-06-12 EP disclosed
EP-1146083-A1 ELECTRICAL INSULATING RESIN MATERIAL, ELECTRICAL INSULATING MATERIAL, AND ELECTRIC WIRE AND CABLE USING THE SAME Japan Polyolefins Co., Ltd. (JP) 2001-10-17 EP disclosed
US-5304619-A Containing nitrile or nitro polar groups; high voltage NIPPON PETROCHEMICALS CO., LTD. (JP) 1994-04-19 US disclosed
EP-0463402-A2 Ethylene polymers or copolymers having improved insulating properties, compositions, and power cables made therefrom NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-01-02 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 (2 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-20140206663-A1 TRIAZINONE COMPOUNDS THPO, IL5, CYP11B2 MAPT 3261/4885PTGES 709/4885PTGS2 1287/4885
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 MAPT 4758/4885PTGES 3412/4885PTGS2 2205/4885

“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.