SCHEMBL1047553

SCHEMBL1047553

O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
PHLPP2 Q6ZVD8 1/20 0.70
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 2/20 0.54
ACHE P22303 1/20 0.54
LMNA P02545 1/20 0.52
CES1 P23141 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.48

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
SCHEMBL3695529 0.91 ALDH1A1 (0.62) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL28687709 0.89 MAPT (0.59) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL15216575 0.87 MAPT (0.58) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL6558976 0.84 MAPT (1.00) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL3686678 0.84 MAPT (0.59) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL9558304 0.84 TDP1 (0.78) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL3693627 0.84 TSHR (0.59) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL27909482 0.83 ALDH1A1 (0.72) TDP1TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL22567 0.83 ALDH1A1 (0.72) TDP1TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL18138449 0.82 ALDH1A1 (0.53) MAPTL3MBTL1TDP1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240014395-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES YE, ZHIBIN, DR. (CA) 2024-01-11 US claimed
WO-2021108901-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES VALORBEC, S.E.C. (CA) 2021-06-10 WO claimed
EP-0446793-B1 Preparation process of polymeric solid electrolyte NIPPON OIL CO LTD (JP) 1995-08-02 EP claimed
US-5194490-A Polyelectrolytes for lithium cells NIPPON OIL CO., LTD. (JP) 1993-03-16 US claimed
JP-3243670-A None JP disclosed
JP-54056689-A None JP disclosed
EP-4634252-A1 AQUEOUS COMPOSITIONS COMPRISING (METH)ACRYLATE GROUP CARRYING POLYURETHANE WHICH YIELD CROSS-LINKED LAYERS OF HIGH HARDNESS AND GOOD ADHESION BASF SE (DE) 2025-10-22 EP disclosed
US-20250145756-A1 RE-DISPERSIBLE OR RE-SOLUBLE AQUEOUS ETHYLENICALLY UNSATURATED AQUEOUS POLYURETHANE COMPOSITIONS WITH IMPROVED WATER-RESISTANCE BASF SE (DE) 2025-05-08 US disclosed
WO-2025061511-A1 TRI-FUNCTIONAL REACTIVE DILUENT FOR CURABLE COMPOSITIONS BASF SE (DE) 2025-03-27 WO disclosed
EP-4493608-A1 RE-DISPERSIBLE OR RE-SOLUBLE AQUEOUS ETHYLENICALLY UNSATURATED AQUEOUS POLYURETHANE COMPOSITIONS WITH IMPROVED WATER-RESISTANCE BASF SE (DE) 2025-01-22 EP disclosed
EP-4389838-A1 ACTIVE-ENERGY-RAY-CURABLE COATING VARNISH, AND LAMINATE Artience Co., Ltd. (JP) 2024-06-26 EP disclosed
WO-2024126304-A1 AQUEOUS COMPOSITIONS COMPRISING (METH)ACRYLATE GROUP CARRYING POLYURETHANE WHICH YIELD CROSS-LINKED LAYERS OF HIGH HARDNESS AND GOOD ADHESION BASF SE (DE) 2024-06-20 WO disclosed
EP-0345674-A2 Ring opening method NIPPON ZEON CO., LTD. (JP) 1989-12-13 EP disclosed
US-4800151-A 2,2,2-TRIFLUOROETHYL A-CHLOROACRYLATE-2,2,3,3-TETRAFLUOROPROPYL A-CHLOROACRYLATE COPOLYMER TORAY INDUSTRIES, INC. (JP) 1989-01-24 US disclosed
EP-0239385-A2 Radiation-sensitive positive resist and composition containing the same TORAY INDUSTRIES, INC. (JP) 1987-09-30 EP disclosed
US-4554346-A REACTION WITH UNSATURATED HYDROXY COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-11-19 US disclosed
US-4533727-A CYCLIEIED CYANATE TRIMER AS PREPOLYMER UNIT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-08-06 US disclosed
US-4279986-A Negative resist and radical scavenger composition with capability of preventing post-irradiation polymerization NIPPON ELECTRIC CO., LTD. (JP) 1981-07-21 US disclosed
JP-S5456689-A RADIATION-SENSITIVE COMPOSITION NEC CORP 1979-05-07 JP disclosed
JP-S05456689-A 0001-01-01 JP 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-20240014395-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES NQO1, NOX4, NES MAPT 1010/4885L3MBTL1 4734/4885TDP1 1339/4885

“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.