SCHEMBL20162398

SCHEMBL20162398

CCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.50
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.48
ATAD2 Q6PL18 1/20 0.48
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
CASP6 P55212 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CHRM2 P08172 1/20 0.42

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
SCHEMBL14049826 0.92 GRIN1 (0.57) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL8128306 0.89 ATAD2 (0.61) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL5121854 0.88 GAA (0.51) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL2675072 0.86 NOS3 (0.49) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL18421287 0.86 GRIN1 (0.52) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL2675597 0.86 GRIN1 (0.51) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL18421420 0.86 GRIN1 (0.51) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL2674451 0.84 GRIN1 (0.53) GRIN1GRIN2BSIRT2ATAD2DRD2
SCHEMBL2674936 0.84 GRIN1 (0.57) GRIN1GRIN2BSIRT2GAALMNA
SCHEMBL2675638 0.84 GRIN1 (0.54) GRIN1GRIN2BSIRT2LMNADRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342766-B1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-12-09 EP disclosed
EP-3342766-B1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-12-09 EP disclosed
US-10842151-B2 Small molecule compound for enhancing plant stress resistance CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-11-24 US disclosed
US-10842151-B2 Small molecule compound for enhancing plant stress resistance CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2020-11-24 US disclosed
US-20180360039-A1 Small Molecule Compound for Enhancing Plant Stress Resistance CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2018-12-20 US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3342766-A1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) 2018-07-04 EP disclosed
EP-3342766-A1 SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) 2018-07-04 EP disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 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 (3 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-10842151-B2 Small molecule compound for enhancing plant stress resistance CYP4F11, RICTOR, MYB GRIN1 1495/4885GRIN2B 2432/4885SIRT2 3534/4885
US-20180360039-A1 Small Molecule Compound for Enhancing Plant Stress Resistance CYP4F11, RICTOR, MYB GRIN1 1495/4885GRIN2B 2432/4885SIRT2 3534/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C GRIN1 1816/4885GRIN2B 2598/4885SIRT2 2771/4885

“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.