SCHEMBL16586263

SCHEMBL16586263

COC(=O)C(Cc1ccccn1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 2/20 0.44
MMP13 P45452 1/20 0.43
PTPRA P18433 1/20 0.41
NLRP3 Q96P20 1/20 0.40
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FDPS P14324 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL30476761 0.89 HDAC6 (0.48) HDAC6HDAC1PTPRANLRP3CYP1A2
SCHEMBL23324211 0.83 AAK1 (0.39) MMP13ALDH1A1SIRT2SMN1; SMN2LMNA
SCHEMBL8724329 0.81 ITGA4 (0.49) MMP13ALDH1A1GAA
SCHEMBL12600955 0.81 ITGA4 (0.49) MMP13ALDH1A1GAA
SCHEMBL8724334 0.81 ITGA4 (0.49) MMP13ALDH1A1GAA
SCHEMBL29715349 0.80 CYP3A4 (0.42) MMP13NLRP3CYP1A2ALDH1A1FDPS
SCHEMBL23092645 0.80 CYP3A4 (0.42) MMP13NLRP3CYP1A2ALDH1A1FDPS
SCHEMBL23092647 0.80 CYP3A4 (0.42) MMP13NLRP3CYP1A2ALDH1A1FDPS
SCHEMBL29166016 0.79 PTPRA (0.52) HDAC6HDAC1PTPRACYP1A2ALDH1A1
SCHEMBL7327907 0.79 MMP13 (0.36) MMP13ALDH1A1MAPT

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
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 US disclosed
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 US disclosed
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 US disclosed
EP-3046907-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES Syngenta Limited (GB) 2016-07-27 EP disclosed
WO-2015040114-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-26 WO disclosed
WO-2015040114-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-26 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 (1 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-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES CBR3, CBR1, CNPY2 HDAC6 3108/4885HDAC1 837/4885MMP13 4053/4885

“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.