SCHEMBL7547799

SCHEMBL7547799

CCc1cnc2c(c1)C(=O)OC2=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.35
PTGS2 P35354 1/20 0.32
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL10676056 0.86 CNR1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL2333074 0.82 ALOX15 (0.31) ALOX15TDP1CYP11B1CYP11B2
SCHEMBL2514710 0.82 ALOX15 (0.31) ALOX15TDP1CYP11B1CYP11B2
SCHEMBL3345797 0.81 GRM5 (0.33) LMNACYP11B1CYP11B2
SCHEMBL14065330 0.78 CALM1 (0.39) NPC1ALDH1A1LMNAALOX15TDP1
SCHEMBL9215304 0.78 GABRA1 (0.35) ALDH1A1MAPTPARP1KMT2A
SCHEMBL6598063 0.77 NPC1 (0.41) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL30718118 0.76 KMT2A (0.53) PTGS2ALOX15TDP1KMT2A
SCHEMBL2333513 0.76 KMT2A (0.53) PTGS2ALOX15TDP1KMT2A
SCHEMBL4714309 0.74 CYP11B1 (0.36) LMNAMAPTMAPK1SMN1; SMN2L3MBTL1

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
CN-112142713-A Synthesis method of imazethapyr 山东润博生物科技有限公司 2020-12-29 CN claimed
EP-0564083-A1 Conversion of pyridine-2,3-dicarboxylic acid esters to their cyclic anhydrides HOECHST CELANESE CORPORATION (US) 1993-10-06 EP claimed
US-5208342-A Hydrolysis and dehydration HOECHST CELANESE CORPORATION (US) 1993-05-04 US claimed
CN-112142713-A Synthesis method of imazethapyr 山东润博生物科技有限公司 2020-12-29 CN disclosed
CN-103524485-B A kind of method of serialization synthesis imazethapyr JIANGSU CHANGQING AGRICULTURAL CHEMISTRY CO., LTD. (CN) 2015-09-09 CN disclosed
CN-103524485-A Method for continuously synthesizing imazethapyr JIANGSU CHANGQING AGROCHEMICAL CO LTD 2014-01-22 CN disclosed
CN-102453022-B Method for preparing imazethapyr SINOCHEN CORP 2013-09-11 CN disclosed
CN-102453022-B Method for preparing imazethapyr SINOCHEN CORP 2013-09-11 CN disclosed
CN-102453022-A Preparation method of imazethapyr SINOCHEN CORP 2012-05-16 CN disclosed
CN-102453022-A Preparation method of imazethapyr SINOCHEN CORP 2012-05-16 CN disclosed
US-6441190-B1 REACTING PYRIDINEDICARBOXYLIC ACID ANHYDRIDE OR PHTHALIC ANHYDRIDE COMPOUND WITH (R)2- AMINO-2,3-DIMETHYLBUTYRONITRILE IN PRESENCE OF WATER-FREE SOLVENT, HYDROLYSIS, TREATING WITH BASE; SEPARATION TO OBTAIN IMIDAZOLINONE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-20020077253-A1 PROCESS FOR THE PREPARATION OF CHIRAL NICOTINIC, QUINOLINIC OR BENZOIC ACID IMIDAZOLINONE HERBICIDES INTELLECTUAL PROPERTY DEPARTMENT (DE) 2002-06-20 US disclosed
US-6339158-B1 REACTING PYRIDINE OR QUINOLINE-2,3-DICARBOXYLIC ACID ANHYDRIDE DERIVATIVE WITH 2-AMINO-2,3-DIMETHYLBUTYRONITRILE IN PRESENCE OF NON-POLAR, WATER-FREE SOLVENT, TERTIARY AMINE, HYDROLYSIS, REACTING WITH BASE, SEPARATION, ACIDIFICATION AMERICAN CYANAMID CO. 2002-01-15 US disclosed
US-5322948-A Reacting unsaturated diacid or derivative with hydroxylamine or a salt thereof to form N-hydroxy-2-aminobutane diacid derivative HOECHST CELANESE CORPORATION (US) 1994-06-21 US disclosed
EP-0511446-A2 Process for preparing pyridinecarboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1992-11-04 EP disclosed
US-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-4748244-A HERBICIDE INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1988-05-31 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-20020077253-A1 PROCESS FOR THE PREPARATION OF CHIRAL NICOTINIC, QUINOLINIC OR BENZOIC ACID IMIDAZOLINONE HERBICIDES DDT, NQO2, NAPRT NPC1 4814/4885ALDH1A1 1583/4885LMNA 2341/4885

“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.