SCHEMBL20548890

SCHEMBL20548890

CCCn1c(=O)ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CFTR P13569 1/20 0.46
MAPT P10636 6/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
CYP19A1 P11511 1/20 0.44
GLS O94925 1/20 0.43
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL17576256 0.88 CYP1A2 (0.61) CYP1A2CFTRMAPTKMT2AMEN1
SCHEMBL5443364 0.80 CYP19A1 (0.56) CYP1A2MAPTCYP19A1GLSALDH1A1
SCHEMBL30349578 0.80 CYP19A1 (0.56) CYP1A2MAPTCYP19A1GLSALDH1A1
SCHEMBL2795966 0.80 CYP1A2 (0.44) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL21787679 0.80 CFTR (0.48) CYP1A2CFTRMAPTKMT2AMEN1
SCHEMBL2965240 0.78 CFTR (0.50) CFTR
SCHEMBL17505196 0.78 CFTR (0.47) CYP1A2CFTRMAPTKMT2AMEN1
SCHEMBL17979387 0.77 MAPT (0.45) CYP1A2MAPTCNR2POLBKDM4E
SCHEMBL30013273 0.77 MAPT (0.66) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL17505200 0.77 MAPT (0.51) CYP1A2MAPTKMT2AMEN1LMNA

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 CYP1A2 3756/4885CFTR 4707/4885MAPT 4794/4885
US-11076597-B2 High stress resistant plant growth regulator and preparation method and use thereof BOLA2; BOLA2B, MYB, PPA1 CYP1A2 3756/4885CFTR 4707/4885MAPT 4794/4885

“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.