SCHEMBL20548554

SCHEMBL20548554

CCCN1C(=O)NC(C)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDC25A P30304 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HTR5A P47898 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCN9A Q15858 1/20 0.36
ALDH2 P05091 1/20 0.36

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
SCHEMBL9539187 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20548712 0.79 CYP19A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10669392 0.78 HDAC4 (0.42) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL20548774 0.75 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL16048149 0.73 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20616489 0.73 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20335486 0.73 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16422227 0.68 LMNA (0.52) ALDH1A1CYP3A4CYP2D6CYP2C19CDC25A
SCHEMBL22692403 0.67 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8083326 0.66 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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-106749080-B Plant growth regulator with high stress resistance and preparation method and application thereof 中国科学院分子植物科学卓越创新中心 2021-06-15 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 ALDH1A1 3795/4885CYP1A2 3756/4885CYP3A4 4687/4885
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof BOLA2; BOLA2B, MYB, PPA1 ALDH1A1 3795/4885CYP1A2 3756/4885CYP3A4 4687/4885

“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.