SCHEMBL2867063

SCHEMBL2867063

CC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 2/20 0.56
GPR35 Q9HC97 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 2/20 0.53
HIF1A Q16665 1/20 0.52
CYP1A2 P05177 1/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50

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
SCHEMBL13010942 0.85 GPR35 (0.56) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL3656114 0.85 MAPK1 (0.57) CES2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5341177 0.85 CES2 (0.63) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL503450 0.83 CES2 (0.66) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL9692669 0.83 CES2 (0.61) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL28843843 0.83 MAPT (0.50) CES2MAPTPOLBALDH1A1MAPK1
Methylamine SCHEMBL9861803 0.82 ALDH1A1 (0.65) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL8489269 0.82 CES2 (0.52) CES2MAPTPOLBALDH1A1SMN1; SMN2
Benzene SCHEMBL10436419 0.81 CES2 (0.69) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL2327506 0.81 BACE1 (0.45) CES2MAPTALDH1A1MAPK1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924177-A Preparation method of pazopanib intermediate 2, 3-dimethyl-6-amino-2H-indazole and analogues thereof 南京杰运医药科技有限公司 2024-04-26 CN disclosed
EP-3246308-A1 METHOD FOR PRODUCING AROMATIC AMINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2017-11-22 EP disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7541339-B2 Par-2-activating peptide derivative and pharmaceutical composition using the same THE UNIVERSITY OF EDINBURGH (GB) 2009-06-02 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP disclosed
CN-1246292-C Disproportionation of nitro aromatic compounds UNIV TSINGHUA (CN) 2006-03-22 CN disclosed
CN-1490301-A Disproportionation of nitro aromatic compounds 清华大学 2004-04-21 CN disclosed
EP-0114482-B1 A PHOTOSENSITIVE COMPOSITION FOR ELECTROPHOTOGRAPHY MITA INDUSTRIAL CO. LTD. (JP) 1988-09-14 EP disclosed
US-4741981-A Photosensitive material for electrophotography contains organic phosphite compounds RICOH CO., LTD. (JP) 1988-05-03 US disclosed
US-4574114-A Photosensitive composition for electrophotography having polyvinyl carbazole and silicone oil MITA INDUSTRIAL COMPANY, LTD. (JP) 1986-03-04 US disclosed
US-4521504-A DICHROMATIC IMAGES-CONDUCTIVE SUBSTRATE LAMINATED WITH PHOTOCONDUCTIVE RICOH COMPANY, LTD. (JP) 1985-06-04 US disclosed
US-4469769-A Photosensitive material for electrophotography contains halo-benzoquinone sensitizer MITA INDUSTRIAL CO. LTD. (JP) 1984-09-04 US disclosed
EP-0100581-A2 Photosensitive material for electrophotography MITA INDUSTRIAL CO. LTD. (JP) 1984-02-15 EP disclosed
US-4370398-A Electrostatic copying process RICOH COMPANY, LTD. (JP) 1983-01-25 US disclosed
US-4361638-A AMORPHOUS SILICON AND CARBON BASE MATERIAL DOPED WITH HYDROGEN AND FLUORINE FUJI PHOTO FILM CO., LTD. (JP) 1982-11-30 US disclosed
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 US disclosed
US-4214094-A ANTILIPEMIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-07-22 US disclosed
US-4159372-A Process for preparing cephalosporin esters in the presence of liquid sulfur dioxide MEIJI SEIKA KAISHA LTD. (JP) 1979-06-26 US disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 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 (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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 CES2 3836/4885MAPT 4583/4885POLB 4153/4885

“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.