SCHEMBL3756498

SCHEMBL3756498

O=[N+]([O-])c1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 4/20 0.54
HIF1A Q16665 3/20 0.54
VCAM1 P19320 1/20 0.50
MAPT P10636 5/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
BLM P54132 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46

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
SCHEMBL30257990 1.00 TDP1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL58080 0.89 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29403879 0.89 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL4670199 0.88 TDP1 (0.62) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL28871017 0.86 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
Benzene SCHEMBL28328708 0.85 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2477068 0.83 TSHR (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL518140 0.83 GPR35 (0.50) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL9220043 0.83 TDP1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL199359 0.83 MAPT (0.52) TDP1ATMALDH1A1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307562-A Triplex wall molecule calix macrocyclic host compound based on ramification of ralston calix [4] arene, and preparation method and application thereof 上海大学 2024-07-09 CN claimed
CN-111269126-B Preparation method of fusion casting carrier 1,2-difluoro-4,5-dinitrobenzene 北京理工大学重庆创新中心 2023-04-07 CN claimed
CN-111302946-B Recrystallization method of 1,2-difluoro-4,5-dinitrobenzene 北京理工大学重庆创新中心 2023-03-24 CN claimed
CN-111302946-A Recrystallization method of 1, 2-difluoro-4, 5-dinitrobenzene 北京理工大学重庆创新中心 2020-06-19 CN claimed
CN-111269126-A Preparation method of fusion-cast carrier 1, 2-difluoro-4, 5-dinitrobenzene 北京理工大学重庆创新中心 2020-06-12 CN claimed
US-4970145-A CARBON OR GRAPHITE PARTICLES IN RESIN CAMBRIDGE LIFE SCIENCES PLC (GB) 1990-11-13 US claimed
US-20250377357-A1 SELF-ACTUATING SIGNAL PRODUCING DETECTION DEVICES AND METHODS RED IVORY LLC (US) 2025-12-11 US disclosed
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
CN-118307562-A Triplex wall molecule calix macrocyclic host compound based on ramification of ralston calix [4] arene, and preparation method and application thereof 上海大学 2024-07-09 CN disclosed
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 US disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
CN-116239605-A Chiral organic photosensitive semiconductor and preparation method and application thereof 华南理工大学 2023-06-09 CN disclosed
CN-111269126-B Preparation method of fusion casting carrier 1,2-difluoro-4,5-dinitrobenzene 北京理工大学重庆创新中心 2023-04-07 CN disclosed
US-5160418-A ENZYME ELECTRODES AND IMPROVEMENTS IN THE MANUFACTURE THEREOF CAMBRIDGE LIFE SCIENCES PLC (GB) 1992-11-03 US disclosed
US-4970145-A CARBON OR GRAPHITE PARTICLES IN RESIN CAMBRIDGE LIFE SCIENCES PLC (GB) 1990-11-13 US disclosed
EP-0352925-A2 Enzyme electrodes and improvements in the manufacture thereof CAMBRIDGE LIFE SCIENCES PLC (GB) 1990-01-31 EP disclosed
EP-0343203-A1 IMMOBILISED ENZYME ELECTRODES AND A METHOD FOR REDUCING THE ALCOHOL SENSITIVITY CAMBRIDGE LIFE SCIENCES PLC (GB) 1989-11-29 EP disclosed
WO-1989003871-A1 IMMOBILISED ENZYME ELECTRODES AND A METHOD FOR REDUCING THE ALCOHOL SENSITIVITY CAMBRIDGE LIFE SCIENCES PLC (GB) 1989-05-05 WO disclosed
WO-1987007295-A1 IMMOBILISED ENZYME ELECTRODES CAMBRIDGE LIFE SCIENCES PLC (GB) 1987-12-03 WO disclosed
EP-0247850-A1 Immobilized enzyme electrodes CAMBRIDGE LIFE SCIENCES PLC (GB) 1987-12-02 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 (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-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 TDP1 2276/4885ATM 4109/4885ALDH1A1 474/4885

“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.