SCHEMBL3021682

SCHEMBL3021682

CN1C(=O)C(C)(Cc2ccccc2)NC(=O)C1Cc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
HTT P42858 3/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 4/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
TLR9 Q9NR96 1/20 0.32
CNR1 P21554 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
GAA P10253 1/20 0.31
MMP2 P08253 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3022044 0.93 LMNA (0.35) ALDH1A1HTTL3MBTL1LMNAKMT2A
SCHEMBL3802948 0.90 GFER (0.35) ALDH1A1HTTGFERL3MBTL1TDP1
SCHEMBL3031993 0.90 GFER (0.33) ALDH1A1HTTGFERL3MBTL1TDP1
SCHEMBL3026760 0.87 ALDH1A1 (0.39) ALDH1A1HTTGFERL3MBTL1TDP1
SCHEMBL3792854 0.87 TDP1 (0.34) ALDH1A1HTTGFERL3MBTL1TDP1
SCHEMBL3796575 0.86 MAPT (0.34) ALDH1A1HTTGFERL3MBTL1TDP1
SCHEMBL3802086 0.86 ALDH1A1 (0.35) ALDH1A1HTTGFERL3MBTL1LMNA
SCHEMBL3022341 0.85 ALDH1A1 (0.39) ALDH1A1HTTGFERL3MBTL1LMNA
SCHEMBL3021663 0.83 ALDH1A1 (0.36) ALDH1A1HTTL3MBTL1TDP1LMNA
SCHEMBL3029327 0.82 MMP2 (0.34) ALDH1A1HTTL3MBTL1LMNAKMT2A

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 14 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-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP claimed
EP-2054394-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-2008152072-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-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054394-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-2008152072-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-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ALDH1A1 1128/4885HTT 1166/4885GFER 47/4885
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 ALDH1A1 1174/4885HTT 2113/4885GFER 708/4885

“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.