SCHEMBL20548765

SCHEMBL20548765

CCCN1C(=O)NCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
PNMT P11086 5/20 0.44
ADRA2A P08913 3/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP4 P49662 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL29713181 1.00 LMNA (0.44) LMNAGAAPNMTADRA2AADRA2B
SCHEMBL5121854 0.81 GAA (0.51) LMNAGAAPNMTADRA2AADRA2B
SCHEMBL20162398 0.80 GRIN1 (0.54) LMNAGAASIRT2CASP1CASP3
SCHEMBL30806305 0.80 CASP1 (0.57) LMNAGAACASP1CASP3CASP4
SCHEMBL27376904 0.80 CASP1 (0.57) LMNAGAACASP1CASP3CASP4
SCHEMBL29713183 0.78 LMNA (0.46) LMNAGAAPNMTADRA2AADRA2B
SCHEMBL20548717 0.78 LMNA (0.46) LMNAGAAPNMTADRA2AADRA2B
SCHEMBL20548510 0.78 ATAD2 (0.55) GAAADRA2AADRA2BADRA2CALDH1A1
SCHEMBL29713184 0.78 ATAD2 (0.55) GAAADRA2AADRA2BADRA2CALDH1A1
SCHEMBL4106672 0.75 GAA (0.53) LMNAGAAPNMTADRA2AADRA2B

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 8 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
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 992/4885PNMT 1501/4885
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof BOLA2; BOLA2B, MYB, PPA1 LMNA 4357/4885GAA 992/4885PNMT 1501/4885

“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.