SCHEMBL1869956

SCHEMBL1869956

CC1OC(=O)c2c(N)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.37
PTPRC P08575 1/20 0.37
MAOA P21397 5/20 0.34
MAOB P27338 2/20 0.34
DPP4 P27487 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CA P42336 1/20 0.33
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
PARP1 P09874 2/20 0.33
HSPA1A P0DMV8 1/20 0.33
PABPC1 P11940 1/20 0.33
ALDH1A1 P00352 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
FGR P09769 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL12718595 0.82 HTR2A (0.38) MAOAMAOBALDH1A1
SCHEMBL4488117 0.77 MAOA (0.53) MAOAMAOBTSHRCES2ALDH1A1
SCHEMBL29137360 0.77 PBRM1 (0.39) MAOAMAOBCYP3A4CES2PARP1
SCHEMBL4496694 0.77 MAOA (0.34) MAOAMAOBCES2PARP1ALDH1A1
SCHEMBL4496746 0.77 PBRM1 (0.39) MAOAMAOBTSHRRECQL
SCHEMBL23963013 0.77 ADORA2A (0.37) ADORA2APTPRCMAOAMAOBDPP4
SCHEMBL17671008 0.77 MAOA (0.34) MAOAMAOBCES2PARP1HSPA1A
SCHEMBL12714846 0.77 CES2 (0.46) ADORA2APTPRCMAOADPP4TSHR
SCHEMBL12714868 0.77 ADORA2A (0.38) ADORA2APTPRCMAOADPP4CYP3A4
SCHEMBL1868789 0.72 S100A4 (0.47) PTPRCMAOATSHRALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011054874-A1 METHOD FOR THE PREPARATION OF 2-AMINO-6-ETHYLBENZOIC ACID ACTIVE BIOTECH AB (SE) 2011-05-12 WO claimed
EP-2316818-A1 Method for the preparation of 2-amino-6-ethylbenzoic acid Active Biotech AB (SE) 2011-05-04 EP claimed
CN-117327058-A Synthesis method of 7- [ (4, 6-dimethyl-2-pyrimidinyl) thio ] -3-methyl-1 (3H) -isopropyl furanone 顺毅南通化工有限公司 2024-01-02 CN disclosed
CN-116675678-A Synthesis method of pyriftalid 顺毅南通化工有限公司 2023-09-01 CN disclosed
EP-3204374-B1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-04-03 EP disclosed
EP-3204374-B1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-04-03 EP disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US disclosed
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-04-24 US disclosed
US-7307175-B2 Process for the preparation of 7-substituted 3-alkyl-3H-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-12-11 US disclosed
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. 2004-08-12 US disclosed
EP-1390339-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES Syngenta Participations AG (CH) 2004-02-25 EP disclosed
US-6657085-B2 By reacting nitro compounds with hydrazine at elevated temperature in the presence of an aqueous base; intermediates in the preparation of herbicides of the isobenzofuranone type SYNGENTA CROP PROTECTION, INC. 2003-12-02 US disclosed
US-20030114690-A1 Process for the preparation of aniline compounds SYNGENTA CROP PROTECTION, INC. 2003-06-19 US disclosed
EP-1286949-A2 PROCESS FOR THE PREPARATION OF ANILINE COMPOUNDS Syngenta Participations AG (CH) 2003-03-05 EP disclosed
WO-2002094760-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-11-28 WO disclosed
WO-2001087806-A2 PROCESS FOR THE PREPARATION OF ANILINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2001-11-22 WO 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 (4 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-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, C1R, C3AR1 ADORA2A 2191/4885PTPRC 2892/4885MAOA 574/4885
US-20170313677-A1 Isoindoline Derivatives OPRD1, ADRA1D, DRD2 ADORA2A 60/4885PTPRC 3617/4885MAOA 1055/4885
US-20030114690-A1 Process for the preparation of aniline compounds CYP1B1, CYP1A1, CYP1A2 ADORA2A 1929/4885PTPRC 3833/4885MAOA 162/4885
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives CBR1, AFF1, ALK ADORA2A 4792/4885PTPRC 3353/4885MAOA 1976/4885

“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.