SCHEMBL99875

SCHEMBL99875

O=C(O)c1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.70
TSHR P16473 2/20 0.64
LMNA P02545 1/20 0.64
HCAR3 P49019 12/20 0.58
APEX1 P27695 1/20 0.54

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
SCHEMBL2156916 0.87 CES1 (0.54) CASP6TSHRLMNAHCAR3
SCHEMBL10948000 0.87 VCAM1 (0.62) CASP6TSHRLMNA
SCHEMBL8625493 0.85 VCAM1 (0.61) CASP6TSHRLMNA
SCHEMBL2722394 0.85 CASP6 (0.70) CASP6TSHRLMNAHCAR3
SCHEMBL3892799 0.84 ALDH1A1 (0.52) CASP6TSHRLMNAHCAR3
SCHEMBL478142 0.84 MAPT (0.56) CASP6TSHRLMNA
SCHEMBL28604140 0.84 PARP1 (0.65) CASP6TSHRLMNA
Hydrochloric Acid SCHEMBL11549840 0.84 CASP6 (0.68) CASP6TSHRLMNAHCAR3
SCHEMBL29559211 0.84 MAPT (0.56) CASP6TSHRLMNA
SCHEMBL11466888 0.83 VCAM1 (0.68) CASP6LMNAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694178-A Dabigatran etexilate analog centered by fluorine-containing-group-modified benzene ring and synthesis method thereof SHANGHAI INST TECHNOLOGY 2014-04-02 CN claimed
CN-103694224-A Dabigatran etexilate analog centered by fluorine-containing-group-modified benzene ring and synthesis method thereof SHANGHAI INST TECHNOLOGY 2014-04-02 CN claimed
CN-103288744-A Fluorine group-containing-modified dabigatran etexilate analogue and synthetic method thereof SHANGHAI INST TECHNOLOGY 2013-09-11 CN claimed
CN-103242296-A Dabigatran etexilate analogue with fluorine-containing group modified pyridine ring as center and synthesis method of analogue SHANGHAI INST TECHNOLOGY 2013-08-14 CN claimed
CN-103224469-A Pradaxa analogue with fluorine-containing group modified benzene ring as center and synthesis method thereof SHANGHAI INST TECHNOLOGY 2013-07-31 CN claimed
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
CN-117338950-A Polymer material for reducing cardiac toxicity of anthracycline chemotherapeutics and application thereof 天津大学 2024-01-05 CN disclosed
CN-115232126-B Beta-carbolin-1, 2, 3-triazole compound, preparation method thereof and application of compound in resisting Alzheimer disease 中国人民解放军北部战区总医院 2023-04-25 CN disclosed
CN-112409223-B Amide compound and medical application thereof as STING inhibitor 中国药科大学 2023-01-31 CN disclosed
US-11548894-B2 Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-10 US disclosed
US-11548894-B2 Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-10 US disclosed
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 EP disclosed
US-4461888-A OPTICAL FILTERS POLAROID CORPORATION (US) 1984-07-24 US disclosed
US-4461886-A AROMATIC POLYAMIDES CONTAINING HALO, NITRO OR UNSATURATED SUBSTITUENTS; FILMS; FIBERS POLAROID CORPORATION (US) 1984-07-24 US disclosed
US-4384107-A MOLECULAR ORIENTATION POLAROID CORPORATION (US) 1983-05-17 US disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 EP disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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-11548894-B2 Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers ACAT1, ACAT2, NPC1L1 CASP6 1102/4885TSHR 4433/4885LMNA 2242/4885

“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.