SCHEMBL4369600

SCHEMBL4369600

O=C(Oc1cc[nH]n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
KMT2A Q03164 7/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
PARP10 Q53GL7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 2/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
SLC6A3 Q01959 1/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL29073835 0.87 KMT2A (0.43) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL28173189 0.82 KMT2A (0.46) LMNAKMT2AMAPTSMN1; SMN2TSHR
SCHEMBL11501114 0.82 CES2 (0.43) LMNAF2MAPTTSHRKDM4E
SCHEMBL27956762 0.79 LOXL2 (0.44) MAPTTSHRKDM4EHPGDRAB9A
SCHEMBL1964113 0.78
SCHEMBL27472333 0.77 KMT2A (0.50) LMNAF2KMT2AMAPTSMN1; SMN2
SCHEMBL28787723 0.77 ALDH1A1 (0.33) KDM4EHSD17B10ALDH1A1
SCHEMBL27580003 0.76 KDM4E (0.49) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL20495492 0.76
SCHEMBL27831921 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463338-A1 ANTIMICROBIAL AGENTS AND THE METHOD OF SYNTHESIZING THE ANTIMICROBIAL AGENTS Arkansas State University-Jonesboro (US) 2019-04-10 EP claimed
WO-2017205814-A1 ANTIMICROBIAL AGENTS AND THE METHOD OF SYNTHESIZING THE ANTIMICROBIAL AGENTS ARKANSAS STATE UNIVERSITY-JONESBORO (US) 2017-11-30 WO claimed
CN-114040937-B Metal-organic framework material containing pyrazolyl benzoate ligand and preparation method thereof 埃克森美孚科技工程公司 2023-11-10 CN disclosed
CN-114040937-B Metal-organic framework material containing pyrazolyl benzoate ligand and preparation method thereof 埃克森美孚科技工程公司 2023-11-10 CN disclosed
CN-219713911-U Production is with pyrazolyl benzoic acid equipment 天津大地康和医药技术有限公司 2023-09-19 CN disclosed
CN-219713911-U Production is with pyrazolyl benzoic acid equipment 天津大地康和医药技术有限公司 2023-09-19 CN disclosed
CN-219713911-U Production is with pyrazolyl benzoic acid equipment 天津大地康和医药技术有限公司 2023-09-19 CN disclosed
CN-112209878-B Cannabinoid receptor light-operated ligand and preparation method and application thereof 上海科技大学 2022-07-05 CN disclosed
CN-114040937-A Metal-organic framework materials comprising pyrazolyl benzoate ligands and methods of making the same 埃克森美孚研究工程公司 2022-02-11 CN disclosed
CN-114040937-A Metal-organic framework materials comprising pyrazolyl benzoate ligands and methods of making the same 埃克森美孚研究工程公司 2022-02-11 CN disclosed
EP-3787621-A1 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2021-03-10 EP disclosed
CN-101253155-B 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 HOFFMANN LA ROCHE 2011-11-09 CN disclosed
CN-102089297-A Novel 1,2,4 oxadiazole compounds and methods of use thereof ABBOTT LAB 2011-06-08 CN disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
CN-101253155-A 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 HOFFMANN LA ROCHE (CH) 2008-08-27 CN disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
CN-1159180-A Benzoyl derivatives and synthesis thereof MONSANTO CO (US) 1997-09-10 CN disclosed
CN-1156441-A Benzoyl Derivatives and Their Synthesis MONSANTO CO (US) 1997-08-06 CN 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 LMNA 3237/4885F2 3175/4885KMT2A 3441/4885

“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.