SCHEMBL7021137

SCHEMBL7021137

O=[N+]([O-])c1ccccc1Oc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.56
LTA4H P09960 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.49
HSPB1 P04792 1/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NR1H2 P55055 1/20 0.47

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
SCHEMBL10476941 0.95 L3MBTL1 (0.51) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL238962 0.85 L3MBTL1 (0.62) L3MBTL1HPGDLTA4HPTGS1PTGS2
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.84 HSPB1 (0.62) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL6750951 0.84 L3MBTL1 (0.57) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL1283885 0.84 HSPB1 (0.67) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL9393606 0.83 ALDH1A1 (0.51) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL9393603 0.83 ALDH1A1 (0.51) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL10944795 0.83 L3MBTL1 (0.56) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL2649297 0.83 L3MBTL1 (0.70) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL7123876 0.83 L3MBTL1 (0.56) L3MBTL1HPGDLTA4HPTGS1PTGS2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2023-03-30 US disclosed
EP-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 EP disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed
CN-103242212-B A kind of brain histamine H 3precursor of Receptor Radioligand and preparation method thereof NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-11-04 CN disclosed
CN-103242212-A Precursor of brain histamine H3 receptor radioligand and preparation method of precursor UNIV NANJING SCIENCE & TECH 2013-08-14 CN disclosed
CN-101874798-B Difunctional inhibitor of leukotriene A4 hydrolase and cyclooxygenase and application thereof UNIV BEIJING 2012-08-29 CN disclosed
CN-101874798-A Difunctional inhibitor of leukotriene A4 hydrolase and cyclooxygenase and application thereof UNIV BEIJING 2010-11-03 CN disclosed
CN-1127476-C 2-phenoxyaniline derivs. TAISHO PHARMACEUTICAL CO LTD (JP) 2003-11-12 CN disclosed
EP-1031556-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-22 EP disclosed
US-6162832-A 2-Phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., INC. (JP) 2000-12-19 US disclosed
CN-1276783-A 2-Phenoxyaniline Derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2000-12-13 CN disclosed
EP-1031556-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-08-30 EP disclosed
EP-0303415-B1 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LTD (JP) 1994-11-30 EP disclosed
US-5205855-A Postemergence, preemergence herbicides SUNTORY LIMITED (JP) 1993-04-27 US disclosed
US-4976773-A SELECTIVITY BETWEEN MONOCOYLEDON PLANTS SUNTORY LIMITED (JP) 1990-12-11 US disclosed
EP-0303415-A2 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LIMITED (JP) 1989-02-15 EP disclosed
US-4607051-A Carbamic acid compound and use as a pesticide HOFFMANN-LA ROCHE INC. (US) 1986-08-19 US disclosed
US-4413010-A Carbamic acid esters and use as pesticides HOFFMANN-LA ROCHE INC. (US) 1983-11-01 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-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1S, C1R, F12 L3MBTL1 4349/4885HPGD 3057/4885LTA4H 2505/4885

“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.