SCHEMBL204357

SCHEMBL204357

O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.61
TRPV1 Q8NER1 1/20 0.61
ERN1 O75460 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42

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
SCHEMBL11731287 0.90 GABRA1 (0.54) S100A4TRPV1MAPTACHEGABRP
SCHEMBL14906924 0.90 S100A4 (0.56) S100A4TRPV1ERN1MAPTACHE
SCHEMBL5321726 0.88 S100A4 (0.54) S100A4TRPV1ERN1MAPTACHE
Hydrogen Sulfide SCHEMBL10764626 0.86 S100A4 (0.49) S100A4TRPV1MAPTACHEGABRP
SCHEMBL29430733 0.85 ALDH1A1 (0.61) S100A4TRPV1MAPTACHEGABRP
SCHEMBL100456 0.85 ALDH1A1 (0.61) S100A4TRPV1MAPTACHEGABRP
SCHEMBL205073 0.84 S100A4 (0.51) S100A4TRPV1MAPTPKMMAPK1
SCHEMBL28815409 0.84 S100A4 (0.48) S100A4TRPV1ERN1MAPTACHE
SCHEMBL30949585 0.84 S100A4 (0.48) S100A4TRPV1MAPTACHEGABRP
SCHEMBL1561802 0.84 TSHR (0.56) S100A4TRPV1ERN1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119822366-A High-heat-conductivity radiation heat dissipation graphite film and preparation method thereof 青岛京湖新材料有限公司 2025-04-15 CN claimed
CN-118084682-A Tetraphenylenediamine monomer containing trifluoromethyl and preparation method and application thereof 株洲时代新材料科技股份有限公司 2024-05-28 CN claimed
CN-117211072-A Preparation method of in-situ growth nitro functional microporous organic network solid-phase microextraction fiber coating 河北大学 2023-12-12 CN claimed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
CN-119822366-A High-heat-conductivity radiation heat dissipation graphite film and preparation method thereof 青岛京湖新材料有限公司 2025-04-15 CN disclosed
US-12179173-B2 Functionalized porous organic polymers as uranium nano-traps for efficient uranium extraction UNIVERSITY OF SOUTH FLORIDA (US) 2024-12-31 US disclosed
CN-118084682-A Tetraphenylenediamine monomer containing trifluoromethyl and preparation method and application thereof 株洲时代新材料科技股份有限公司 2024-05-28 CN disclosed
EP-0831813-A1 METHODS OF INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA AND COMPOUNDS USEFUL THEREFOR THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP disclosed
WO-1996040117-A1 METHODS OF TREATING MICROBIAL INFECTIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
WO-1996040114-A1 METHODS OF INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA AND COMPOUNDS USEFUL THEREFOR THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO 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 (3 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 S100A4 1239/4885TRPV1 2803/4885ERN1 4862/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC S100A4 64/4885TRPV1 3480/4885ERN1 4001/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR S100A4 471/4885TRPV1 4419/4885ERN1 3187/4885

“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.