SCHEMBL254774

SCHEMBL254774

O=C(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.70
CES2 O00748 1/20 0.70
ALOX5 P09917 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
POLB P06746 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
MITF O75030 1/20 0.56
RAB9A P51151 1/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
SRD5A2 P31213 1/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.53
BCHE P06276 1/20 0.53
MAOB P27338 1/20 0.53
CYP1B1 Q16678 1/20 0.53

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
Methane SCHEMBL28800504 0.98 CES1 (0.68) CES1CES2ALOX5TDP1POLB
SCHEMBL254773 0.92 CES1 (0.65) CES1CES2TDP1POLBMAPK1
SCHEMBL28451508 0.91 CES1 (0.58) CES1CES2ALOX5TDP1POLB
Methyl Carbamate SCHEMBL28555185 0.89 CES2 (0.57) CES1CES2ALOX5TDP1POLB
SCHEMBL27499697 0.89 CES1 (0.70) CES1CES2ALOX5TDP1POLB
Methylamine SCHEMBL29169653 0.87 TSHR (0.60) CES1CES2TDP1POLBMAPK1
SCHEMBL6427643 0.86 ALOX5 (0.69) CES1CES2ALOX5TDP1ALDH1A1
SCHEMBL27459060 0.85 CES1 (0.65) CES1CES2ALOX5TDP1POLB
SCHEMBL20558901 0.84 TDP1 (0.65) CES1CES2ALOX5TDP1POLB
SCHEMBL4721016 0.84 TP53 (0.67) CES1CES2ALOX5POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126530-B Low-dielectric-constant polyphenylene sulfide material for millimeter waves and preparation method thereof 江西聚真科技发展有限公司 2024-12-17 CN claimed
CN-112441984-B Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof 上海特化医药科技有限公司 2024-04-19 CN claimed
CN-117003740-A Synthesis method of 1N-methyl pseudouridine derivative 江苏申基生物科技有限公司 2023-11-07 CN claimed
CN-116410145-A Preparation method of MRTX849 intermediate 上海泓博智源医药股份有限公司 2023-07-11 CN claimed
CN-116120335-A Curcumenol derivative as Wnt signal pathway agonist and preparation method and application thereof 国科大杭州高等研究院 2023-05-16 CN claimed
CN-115894380-A N-aryl substituted imino ester compound and preparation method and application thereof 上海特化医药科技有限公司 2023-04-04 CN claimed
CN-113330017-B Purification method and application of SGLTs inhibitor 上海研健新药研发有限公司 2023-01-31 CN claimed
CN-115073534-A Synthetic method of emamectin benzoate 吴晓明 2022-09-20 CN claimed
US-20220289684-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-09-15 US claimed
CN-111349238-B Polyetherimide and preparation process thereof 万华化学集团股份有限公司 2022-08-05 CN claimed
WO-2021037127-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR 上海特化医药科技有限公司 2021-03-04 WO claimed
CN-112362791-A HPLC separation method of trifluridine and isomers thereof 国药一心制药有限公司 2021-02-12 CN claimed
CN-111349238-A Polyetherimide and preparation process thereof 万华化学集团股份有限公司 2020-06-30 CN claimed
CN-110951076-A Hyperbranched polyetherimide and preparation and application thereof 北京化工大学 2020-04-03 CN claimed
CN-110684517-A Self-polymerization consolidation compression-resistant permeation-increasing temperature-resistant sand control agent 四川捷贝通能源科技有限公司 2020-01-14 CN claimed
US-20180273819-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS COMPRISING TRIAMINES AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2018-09-27 US claimed
WO-2016179028-A1 THERMAL ENERGY STORAGE PHASE AND TEMPERATURE STABILIZATION CHANGE MATERIALS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS, LLC. (US) 2016-11-10 WO claimed
EP-2841417-A1 SYNTHESIS OF LACTAMS Tavares, Francis Xavier (US) 2015-03-04 EP claimed
WO-2013163239-A1 SYNTHESIS OF LACTAMS TAVARES FRANCIS XAVIER (US) 2013-10-31 WO claimed
EP-0239194-A2 Methods for preparing hydroxy compounds and intermediates SYMBICOM AB (SE) 1987-09-30 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 (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-20220289684-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR PAH, PNP, CYP3A4 CES1 2989/4885CES2 3047/4885ALOX5 1257/4885

“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.