SCHEMBL3026084

SCHEMBL3026084

COc1cccc([N+](=O)[O-])c1/C=C1\C(=O)N(C)C(C)(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
XDH P47989 1/20 0.34
TXNRD1 Q16881 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PLIN1 O60240 1/20 0.33
PABPC1 P11940 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33

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
SCHEMBL3026088 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL3026063 0.92 ALDH1A1 (0.40) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL3026066 0.92 ALDH1A1 (0.40) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL3017307 0.89 LMNA (0.39) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL3017304 0.89 LMNA (0.39) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL3021816 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL3021817 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL3024223 0.88 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL3024224 0.88 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL3796155 0.86 XDH (0.40) ALDH1A1KMT2ALMNAMEN1MAPT

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
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
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION 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 ALDH1A1 983/4885KMT2A 3104/4885L3MBTL1 593/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ALDH1A1 1128/4885KMT2A 2213/4885L3MBTL1 1219/4885

“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.