SCHEMBL2009041

SCHEMBL2009041

COc1ccc(C=NO)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.64
GRIN3B O60391 2/20 0.64
GRIN1 Q05586 2/20 0.64
GRIN2A Q12879 2/20 0.64
GRIN2B Q13224 2/20 0.64
GRIN2C Q14957 2/20 0.64
GRIN3A Q8TCU5 2/20 0.64
CYP1A2 P05177 10/20 0.63
CYP1A1 P04798 8/20 0.63
CYP1B1 Q16678 8/20 0.63
ALDH1A1 P00352 5/20 0.59
HPGD P15428 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 3/20 0.58
AMY1A P0DUB6 1/20 0.58
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
NFE2L2 Q16236 2/20 0.56
KMT2A Q03164 3/20 0.56

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
SCHEMBL8237102 1.00 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30481109 1.00 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2009040 1.00 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3739643 0.85 CYP1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3739640 0.85 CYP1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3638744 0.85 HPGD (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3638747 0.85 HPGD (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11747282 0.85 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3717558 0.84 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3717557 0.84 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005630-A1 PROCESS FOR THE PREPARATION OF ORGANIC NITRILES ALLIEDSIGNAL INC. (US) 1998-02-12 WO claimed
CN-113861069-B Preparation method of nitrile compound 陕西国际商贸学院 2023-06-16 CN disclosed
CN-113861069-A Preparation method of nitrile compound 陕西国际商贸学院 2021-12-31 CN disclosed
CN-111244547-B Electrolyte containing aromatic oxime additive and preparation method and application thereof 四川虹微技术有限公司 2021-09-17 CN disclosed
CN-111244547-A Electrolyte containing aromatic oxime additive and preparation method and application thereof 四川虹微技术有限公司 2020-06-05 CN disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO disclosed
EP-1506162-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES Genzyme Corporation (US) 2005-02-16 EP disclosed
CN-1151150-C Non-peptide angiotonin II receptor antagon Jw sartan compounds and its synthesizing process and application 王建武 2004-05-26 CN disclosed
US-20030220504-A1 Synthesis of benzonitriles from substituted benzaldehyde GENZYME CORPORATION 2003-11-27 US disclosed
WO-2003097582-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES GENZYME CORPORATION (US) 2003-11-27 WO disclosed
CN-1369492-A Non-peptide angiotonin II receptor antagon Jw sartan compounds and its synthesizing process and application WANG JIANWU (CN) 2002-09-18 CN disclosed
WO-1998005630-A1 PROCESS FOR THE PREPARATION OF ORGANIC NITRILES ALLIEDSIGNAL INC. (US) 1998-02-12 WO disclosed
EP-0112524-B1 TRICHLOROACRYLOYL OXIME DERIVATIVES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-05-28 EP disclosed
US-4581365-A Trichloroacryloyl oxime fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-08 US disclosed
EP-0112524-A1 Trichloroacryloyl oxime derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-07-04 EP 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-20030220504-A1 Synthesis of benzonitriles from substituted benzaldehyde FTH1, FGB, DBF4 GRIN2D 2800/4885GRIN3B 3383/4885GRIN1 3204/4885

“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.