SCHEMBL4875427

SCHEMBL4875427

O=C1CNC(=O)C1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
HBB P68871 1/20 0.50
MCL1 Q07820 1/20 0.45
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A4 P31645 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
SCHEMBL8466743 0.84 MAPT (0.49) MAPTHTTALOX15HBBMCL1
SCHEMBL169913 0.73 MCL1 (0.65) MAPTHTTALOX15HBBMCL1
SCHEMBL23732677 0.72 ALDH1A1 (0.36) MAPTALOX15ALDH1A1L3MBTL1CYP1A2
SCHEMBL9711454 0.72 MAPT (0.44) MAPTHTTALOX15HBBMCL1
SCHEMBL8623240 0.72 MCL1 (0.49) MAPTHTTALOX15HBBMCL1
SCHEMBL8623238 0.72 MCL1 (0.49) MAPTHTTALOX15HBBMCL1
SCHEMBL16597881 0.72 MAPT (0.55) MAPTHTTALOX15HBBMCL1
SCHEMBL7208671 0.72 MAPT (0.55) MAPTHTTALOX15HBBMCL1
SCHEMBL9814781 0.70 MAPT (0.53) MAPTHTTALOX15HBBMCL1
Hydrochloric Acid SCHEMBL29974591 0.70 MAPT (0.41) MAPTHTTALOX15HBBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994001401-A1 HERBICIDAL AND INSECTICIDAL 3-BENZOYL-PYRROLIDIN-2,4-DIONE DERIVATES BAYER AKTIENGESELLSCHAFT (DE) 1994-01-20 WO claimed
EP-1997803-B1 A TECHNIQUE FOR MODIFICATION OF A BIO-PRODUCT MOLECULE AND APPLICATION OF WEED CONTROL UNIV NANJING AGRICULTURAL (CN) 2018-02-14 EP disclosed
US-9468209-B2 Method for eradicating weeds with derivatives of 3-acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one NANJING AGRICULTURAL UNIVERSITY (CN) 2016-10-18 US disclosed
US-20150141254-A1 METHOD FOR ERADICATING WEEDS WITH DERIVATIVES OF 3-ACETYL-5-SEC-BUTYL-4-HYDROXY-3-PYRROLIN-2-ONE NANJING AGRICULTURAL UNIVERSITY (CN) 2015-05-21 US disclosed
US-8921274-B2 Method for eradicating weeds with derivatives of 3-acetyl-5-sec-butyl-4-hydroxy-3-pyrrolin-2-one NANJING AGRICULTURAL UNIVERSITY (CN) 2014-12-30 US disclosed
CN-103922990-A Method for molecular modification and weed control of biological source compound UNIV NANJING AGRICULTURAL 2014-07-16 CN disclosed
US-20120172226-A1 METHOD FOR ERADICATING WEEDS WITH DERIVATIVES OF 3-ACETYL-5-SEC-BUTYL-4-HYDROXY-3-PYRROLIN-2-ONE Nantong Jiangshan Agrochemical & Cheimcal Limited Liability Co., Ltd. (CN) 2012-07-05 US disclosed
EP-1997803-A1 A TECHNIQUE FOR MODIFICATION OF A BIO-PRODUCT MOLECULE AND APPLICATION OF WEED CONTROL Nanjing Agricultural University (CN) 2008-12-03 EP disclosed
US-20080176748-A1 derived from 3-acetyl-4-hydroxy-5-sec-butylpyrroline-2-ketone, a natural substance, and their potential use in agriculture for weed control NANJING AGRICULTURAL UNIVERSITY (CN) 2008-07-24 US disclosed
WO-1994001401-A1 HERBICIDAL AND INSECTICIDAL 3-BENZOYL-PYRROLIDIN-2,4-DIONE DERIVATES BAYER AKTIENGESELLSCHAFT (DE) 1994-01-20 WO 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 (3 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-20120172226-A1 METHOD FOR ERADICATING WEEDS WITH DERIVATIVES OF 3-ACETYL-5-SEC-BUTYL-4-HYDROXY-3-PYRROLIN-2-ONE NOTUM, PGA5, ALG1 MAPT 3894/4885HTT 2191/4885ALOX15 32/4885
US-20080176748-A1 derived from 3-acetyl-4-hydroxy-5-sec-butylpyrroline-2-ketone, a natural substance, and their potential use in agriculture for weed control HADH, HADHB, ABAT MAPT 2355/4885HTT 839/4885ALOX15 1999/4885
US-20150141254-A1 METHOD FOR ERADICATING WEEDS WITH DERIVATIVES OF 3-ACETYL-5-SEC-BUTYL-4-HYDROXY-3-PYRROLIN-2-ONE NOTUM, HDAC6, PGA5 MAPT 3521/4885HTT 2081/4885ALOX15 35/4885

“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.