SCHEMBL20335481

SCHEMBL20335481

CCCN1C(=O)CC(C)(C)c2cc([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
CASP6 P55212 2/20 0.42
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
HSPA9 P38646 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
ADRA1B P35368 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXRA P19793 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
SCHEMBL8310714 0.89 CYP1A2 (0.43) LMNAGAACASP6CASP1CASP3
SCHEMBL18421074 0.82 BRD4 (0.41) LMNAGAACASP6CASP1CASP3
SCHEMBL18421310 0.82 RXRA (0.43) LMNAGAACASP6CASP1CASP3
SCHEMBL9593368 0.82 ALDH1A1 (0.51) LMNAGAACASP6CASP1CASP3
SCHEMBL20335480 0.81 ATAD2 (0.43) ALDH1A1HDAC1HDAC6RXRA
SCHEMBL6221704 0.81 KMT2A (0.44) LMNAALDH1A1MAPTHDAC1HDAC6
SCHEMBL30806748 0.81 CASP1 (0.56) LMNACASP6CASP1CASP3CASP4
SCHEMBL27376731 0.81 CASP1 (0.56) LMNACASP6CASP1CASP3CASP4
SCHEMBL16618789 0.81 OPRD1 (0.47) LMNAGAACASP6CASP1CASP3
SCHEMBL5121854 0.78 GAA (0.51) LMNAGAACASP6CASP1CASP3

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 6 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
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
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

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-10842151-B2 Small molecule compound for enhancing plant stress resistance CYP4F11, RICTOR, MYB LMNA 4365/4885GAA 1720/4885CASP6 1509/4885
US-20180360039-A1 Small Molecule Compound for Enhancing Plant Stress Resistance CYP4F11, RICTOR, MYB LMNA 4365/4885GAA 1720/4885CASP6 1509/4885

“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.