SCHEMBL20548717

SCHEMBL20548717

CCCN1C(=O)OCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.46
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP4 P49662 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
HTT P42858 3/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL29713183 1.00 LMNA (0.46) LMNAGAACASP1CASP3CASP4
SCHEMBL3832637 0.82 CASP6 (0.52) LMNAGAACASP1CASP3CASP4
SCHEMBL5121854 0.80 GAA (0.51) LMNAGAACASP1CASP3CASP4
SCHEMBL20162398 0.79 GRIN1 (0.54) LMNAGAACASP1CASP3CASP4
SCHEMBL19805048 0.79 BRD4 (0.36) LMNAMAPTALDH1A1HTTMEN1
SCHEMBL20548493 0.79 ATAD2 (0.50) LMNAGAAMAPTHTTNR1H2
SCHEMBL29713185 0.79 ATAD2 (0.50) LMNAGAAMAPTHTTNR1H2
SCHEMBL20548765 0.78 LMNA (0.44) LMNAGAACASP1CASP3CASP4
SCHEMBL29713181 0.78 LMNA (0.44) LMNAGAACASP1CASP3CASP4
SCHEMBL2061196 0.77 SIRT2 (0.45) LMNAGAACASP1CASP3CASP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2021-08-03 US disclosed
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2021-08-03 US disclosed
CN-106749044-B ABA analogue for enhancing plant stress resistance 中国科学院上海生命科学研究院 2020-04-21 CN disclosed
US-20190000084-A1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-03 US disclosed
US-20190000084-A1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-03 US disclosed
EP-3398940-A1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF Shanghai Institutes For Biological Sciences, Chinese Academy Of Sciences (CN) 2018-11-07 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 (2 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-20190000084-A1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF BOLA2; BOLA2B, MYB, PPA1 LMNA 4357/4885GAA 992/4885CASP1 4368/4885
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof BOLA2; BOLA2B, MYB, PPA1 LMNA 4357/4885GAA 992/4885CASP1 4368/4885

“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.