SCHEMBL213758

SCHEMBL213758

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
CYP3A4 P08684 2/20 0.56
CASP6 P55212 1/20 0.55
BACE1 P56817 2/20 0.53
GPR35 Q9HC97 4/20 0.52
EGFR P00533 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.45
CTSB P07858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL29577003 1.00 TSHR (0.56) TSHRCYP3A4CASP6BACE1GPR35
Methane SCHEMBL27823028 0.98 TSHR (0.54) TSHRCYP3A4CASP6BACE1GPR35
Ethane SCHEMBL27988634 0.96 TSHR (0.57) TSHRCYP3A4CASP6BACE1GPR35
SCHEMBL29950169 0.84 ESR1 (0.57) TSHRBACE1GPR35EGFRESR1
SCHEMBL69947 0.84 MAPK1 (0.67) TSHRCYP3A4BACE1GPR35EGFR
SCHEMBL29502912 0.84 MAPK1 (0.67) TSHRCYP3A4BACE1GPR35EGFR
SCHEMBL6796101 0.84 ESR1 (0.57) TSHRBACE1GPR35EGFRESR1
SCHEMBL6031674 0.84 MAPK1 (0.67) TSHRCYP3A4BACE1GPR35EGFR
SCHEMBL29479746 0.84 GPR35 (0.67) TSHRCYP3A4BACE1GPR35EGFR
SCHEMBL68980 0.84 GPR35 (0.67) TSHRCYP3A4BACE1GPR35EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260108476-A1 2,4 DNP and Prodrugs Thereof for Treatment of Cancer MITOCHON PHARMACEUTICALS, INC. (US) 2026-04-23 US claimed
CN-118010870-A Method for simultaneously measuring multiple nitrophenol compounds in different food matrixes 四川省食品检验研究院 2024-05-10 CN claimed
CN-116970180-A Double-ligand energetic metal complex and preparation method thereof 北京理工大学 2023-10-31 CN claimed
WO-2023205625-A2 2,4 DNP AND PRODRUGS THEREOF FOR TREATMENT OF PULMONARY AND AUTOIMMUNE DISEASES MITOCHON PHARMACEUTICALS, INC. (US) 2023-10-26 WO claimed
CN-116256943-A Negative photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2023-06-13 CN claimed
US-20230100940-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases MITOCHON PHARMACEUTICALS, INC. (US) 2023-03-30 US claimed
WO-2023014882-A1 2,4 DNP AND PRODRUGS THEREOF FOR TREATMENT OF CANCER MITOCHON PHARMACEUTICALS, INC. (US) 2023-02-09 WO claimed
CN-115227685-A DNP and DNP prodrug treatment of diseases 米托充制药公司 2022-10-25 CN claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
EP-3426233-A1 DNP AND DNP PRODRUG TREATMENT OF NEUROMUSCULAR, NEURODEGENERATIVE, AUTOIMMUNE, DEVELOPMENTAL, CONCUSSION, DRY EYE DISEASE, AND/OR METABOLIC DISEASES Mitochon Pharmaceuticals, Inc. (US) 2019-01-16 EP claimed
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
US-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
WO-2012158302-A2 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO claimed
US-6413679-B1 HERMETIC SEALED CONTAINER KABUSHIKI KAISHA TOSHIBA (JP) 2002-07-02 US claimed
EP-0411159-B1 METHOD FOR DETERMINING ENZYMATIC ACTIVITY IATRON LAB (JP) 1995-11-22 EP claimed
US-5350677-A Sampling and reaction, measuring color IATRON LABORATORIES, INC. (JP) 1994-09-27 US claimed
EP-0244799-B1 AN ELECTROLYTE FOR ELECTROLYTIC CAPACITOR NIPPON CHEMI-CON CORPORATION (JP) 1991-03-06 EP claimed
EP-0411159-A1 METHOD FOR DETERMINING ENZYMATIC ACTIVITY IATRON LABORATORIES, INC. (JP) 1991-02-06 EP claimed
US-4830785-A ALKYL AMMONIUM OR AMINE SALTS OF PHENOL OR NITROPHENOL IN APROTIC SOLVENTS NIPPON CHEMI-CON CORPORATION (JP) 1989-05-16 US claimed
EP-0244799-A2 An electrolyte for electrolytic capacitor NIPPON CHEMI-CON CORPORATION (JP) 1987-11-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PFAS, PARG, PARN TSHR 4605/4885CYP3A4 54/4885CASP6 2785/4885
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PARG, PARN, AADAC TSHR 4682/4885CYP3A4 81/4885CASP6 2391/4885
US-20230100940-A1 DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases SMN1; SMN2, MYLK2, WFS1 TSHR 3498/4885CYP3A4 1498/4885CASP6 1382/4885
US-20260108476-A1 2,4 DNP and Prodrugs Thereof for Treatment of Cancer DNPH1, SLC5A2, DNPEP TSHR 2973/4885CYP3A4 149/4885CASP6 871/4885

“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.