SCHEMBL258616

SCHEMBL258616

O=C(OO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALOX5 P09917 7/20 0.59
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
PTPN11 Q06124 1/20 0.56
PTGES O14684 1/20 0.54
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CES1 P23141 2/20 0.50
NPC1 O15118 1/20 0.50
CES2 O00748 1/20 0.50
CYP19A1 P11511 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
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
SCHEMBL6427641 0.85 CYP3A4 (0.61) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1
SCHEMBL7648958 0.85 CYP3A4 (0.61) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1
SCHEMBL28315467 0.82 ALOX5 (0.57) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.82 SMN1; SMN2 (0.60) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1
SCHEMBL828959 0.81 TSHR (0.69) CYP3A4SMN1; SMN2ALOX5KDM4ECES1
SCHEMBL27709137 0.80 ALOX5 (0.75) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1
SCHEMBL248294 0.79 TSHR (0.64) PTPN2PTPN1GAAKDM4ETDP1
SCHEMBL15751973 0.79 ALOX5 (0.54) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1
SCHEMBL13384984 0.79 ALOX5 (0.84) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1
Nitromide SCHEMBL193674 0.78 CYP3A4 (1.00) CYP3A4SMN1; SMN2ALOX5PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954617-A Method for preparing 4-methoxyphenol from anisole 河南大学 2025-05-09 CN claimed
US-20240292726-A1 METHOD OF MANUFACTURING QLED DEVICE, QLED DEVICE, AND DISPLAY DEVICE TCL TECHNOLOGY GROUP CORPORATION (CN) 2024-08-29 US claimed
CN-118290820-A Preparation method and application of solid glass beads 万华化学(宁波)有限公司 2024-07-05 CN claimed
CN-117903064-A 2-Sulfonyl pyrimidine-4-carboxamide compound I and synthetic method thereof 西北师范大学 2024-04-19 CN claimed
CN-117903065-A Synthesis method of 2-sulfonyl pyrimidine-4-carboxamide compound II 西北师范大学 2024-04-19 CN claimed
CN-113816920-B Synthesis method of chlorzoxazone 鲁南制药集团股份有限公司 2024-03-15 CN claimed
CN-115734631-A Preparation method of QLED device, QLED device and display device TCL科技集团股份有限公司 2023-03-03 CN claimed
WO-2023025297-A1 METHOD FOR PREPARING QLED DEVICE, QLED DEVICE AND DISPLAY DEVICE TCL科技集团股份有限公司 2023-03-02 WO claimed
CN-113122212-B Preparation method and application of profile control agent 中国石油天然气股份有限公司 2022-10-04 CN claimed
CN-113816920-A Synthetic method of chlorzoxazone 鲁南制药集团股份有限公司 2021-12-21 CN claimed
US-20060223743-A1 Metabolites of cyclosporin analogs ISOTECHNIKA INC. (CA) 2006-10-05 US claimed
WO-2006063470-A1 METABOLITES OF CYCLOSPORIN ANALOGS ISOTECHNIKA INC. (CA) 2006-06-22 WO claimed
EP-1387822-B1 2-[4-(2,2,-DIHALOCYCLOPROPYL)PHENOXY]-ALKANOIC ACIDS AND ESTERS THEREOF PRODUCTION PROCESS LABORATORIO CHIMICO INT SPA (IT) 2005-06-15 EP claimed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 US claimed
WO-2005010011-A2 METHODS OF SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2005-02-03 WO claimed
EP-1387822-A1 2-[4-(2,2,-DIHALOCYCLOPROPYL)PHENOXY]-ALKANOIC ACIDS AND ESTERS THEREOF PRODUCTION PROCESS LABORATORIO CHIMICO INTERNAZIONALE S.p.A. (IT) 2004-02-11 EP claimed
WO-2002090307-A1 2-[4-(2, 2-DIHALOCYCLOPROPYL)PHENOXY]-ALKANOIC ACIDS AND ESTERS THEREOF PRODUCTION PROCESS LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2002-11-14 WO claimed
EP-0600317-B1 Process for the preparation of halogenated benzoic acids HOECHST AG (DE) 1997-03-12 EP claimed
US-5481032-A Process for the preparation of halogenated benzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US claimed
EP-0600317-A1 Process for the preparation of halogenated benzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-08 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 (2 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-20060223743-A1 Metabolites of cyclosporin analogs CYP2A7, CYP3A7, CYP3A43 CYP3A4 11/4885SMN1; SMN2 4251/4885ALOX5 594/4885
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 CYP3A4 6/4885SMN1; SMN2 3880/4885ALOX5 216/4885

“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.