SCHEMBL3029580

SCHEMBL3029580

COc1cccc([N+](=O)[O-])c1/C=C1\C(=O)NC(C)(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.38
PLIN1 O60240 1/20 0.38
PABPC1 P11940 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
GSK3B P49841 1/20 0.37
PIM1 P11309 1/20 0.37
ESRRA P11474 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 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
SCHEMBL3029581 1.00 MAPT (0.40) MAPTPKMALDH1A1HTTL3MBTL1
SCHEMBL3027961 0.93 ALDH1A1 (0.36) MAPTPKMALDH1A1HTTL3MBTL1
SCHEMBL3027964 0.93 ALDH1A1 (0.36) MAPTPKMALDH1A1HTTL3MBTL1
SCHEMBL3026110 0.88 HTT (0.34) MAPTALDH1A1HTTL3MBTL1KDM4E
SCHEMBL3026114 0.88 HTT (0.34) MAPTALDH1A1HTTL3MBTL1KDM4E
SCHEMBL3024308 0.87 MAPT (0.39) MAPTPKMALDH1A1HTTL3MBTL1
SCHEMBL3024312 0.87 MAPT (0.39) MAPTPKMALDH1A1HTTL3MBTL1
SCHEMBL3023623 0.87 HTT (0.34) MAPTALDH1A1HTTL3MBTL1KDM4E
SCHEMBL3023619 0.87 HTT (0.34) MAPTALDH1A1HTTL3MBTL1KDM4E
SCHEMBL3797122 0.85 XDH (0.38) MAPTALDH1A1HTTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO claimed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO disclosed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 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 (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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 MAPT 4811/4885PKM 4684/4885ALDH1A1 983/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR MAPT 3519/4885PKM 497/4885ALDH1A1 1128/4885

“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.