SCHEMBL2391237

SCHEMBL2391237

COC(=O)c1cc(CBr)cnc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL30738741 1.00 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1TSHRKDM4E
SCHEMBL28354036 0.93 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1TSHRKDM4E
SCHEMBL30530135 0.91 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1TSHRKDM4E
SCHEMBL28174771 0.91 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1TSHRKDM4E
SCHEMBL29280504 0.91 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1TSHRKDM4E
SCHEMBL31436355 0.87 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL7576273 0.87 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL28280234 0.85 KDM4E (0.41) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL31220981 0.84 KDM4E (0.41) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL28690732 0.84 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047751-A Preparation method of imazethapyr 江苏省农用激素工程技术研究中心有限公司 2024-05-17 CN claimed
CN-111004174-A Method for preparing 5-bromomethyl-2, 3-pyridine dimethyl dicarboxylate by ultraviolet light catalysis 沈阳化工研究院有限公司 2020-04-14 CN claimed
CN-107216286-B Preparation method of 5-bromomethyl-2, 3-pyridine dimethyl dicarboxylate 江苏省农用激素工程技术研究中心有限公司 2020-03-31 CN claimed
CN-107216286-A The preparation method of the pyridinedicarboxylic acid dimethyl ester of 5 bromomethyl 2,3 江苏省农用激素工程技术研究中心有限公司 2017-09-29 CN claimed
CN-118047751-A Preparation method of imazethapyr 江苏省农用激素工程技术研究中心有限公司 2024-05-17 CN disclosed
CN-118047751-A Preparation method of imazethapyr 江苏省农用激素工程技术研究中心有限公司 2024-05-17 CN disclosed
CN-117024406-A Synthesis method of imazethapyr 江苏省农用激素工程技术研究中心有限公司 2023-11-10 CN disclosed
CN-114989078-A Recovery method of imazamox key intermediate bromine quaternary ammonium salt mother liquor 内蒙古新农基科技有限公司 2022-09-02 CN disclosed
EP-4001266-A2 PROCESS FOR PREPARING METHOXY METHYL PYRIDINE DICARBOXYLATE Adama Agan Ltd. (IL) 2022-05-25 EP disclosed
EP-3782985-A1 PROCESS FOR MANUFACTURING 5-METHOXYMETHYLPYRIDINE-2,3-DICARBOXYLIC ACID DERIVATIVES BASF Agrochemical Products B.V. (NL) 2021-02-24 EP disclosed
EP-3782985-A1 PROCESS FOR MANUFACTURING 5-METHOXYMETHYLPYRIDINE-2,3-DICARBOXYLIC ACID DERIVATIVES BASF Agrochemical Products B.V. (NL) 2021-02-24 EP disclosed
US-10858320-B2 Process for manufacturing substituted 5-methoxymethylpyridine-2,3-dicarboxylic acid derivatives BASF AGROCHEMICAL PRODUCTS B.V. (NL) 2020-12-08 US disclosed
US-5405827-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-04-11 US disclosed
US-5344935-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1994-09-06 US disclosed
US-5283230-A Pre- and post-emergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed
US-5239070-A Herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1993-08-24 US disclosed
US-5225564-A Acetalization, amination or sulfiding in a solvent AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5039333-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY 1991-08-13 US disclosed
EP-0434965-A2 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed
US-5026859-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1991-06-25 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-10858320-B2 Process for manufacturing substituted 5-methoxymethylpyridine-2,3-dicarboxylic acid derivatives DDT, DDC, CYP4X1 CYP4F2 83/4885CYP4A11 440/4885ALDH1A1 79/4885

“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.