SCHEMBL3022044

SCHEMBL3022044

CN1C(=O)C(C)(Cc2ccc(F)cc2)NC(=O)C1Cc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 6/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
GAA P10253 1/20 0.31
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
HSPB1 P04792 1/20 0.31
HTR6 P50406 1/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CCR3 P51677 1/20 0.30
MEN1 O00255 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
SCHEMBL3021682 0.93 ALDH1A1 (0.34) LMNAALDH1A1L3MBTL1HTTGAA
SCHEMBL3802086 0.93 ALDH1A1 (0.35) LMNAALDH1A1L3MBTL1HTTMMP1
SCHEMBL3021663 0.90 ALDH1A1 (0.36) LMNAALDH1A1L3MBTL1HTTMMP1
SCHEMBL3017464 0.89 HTR6 (0.32) LMNAL3MBTL1KCNJ1KCNH2HTR6
SCHEMBL3802447 0.88 LMNA (0.32) LMNAALDH1A1L3MBTL1HTTKMT2A
SCHEMBL3792309 0.87 LMNA (0.34) LMNAALDH1A1L3MBTL1HTTMMP1
SCHEMBL3021818 0.87 ALDH1A1 (0.39) LMNAALDH1A1L3MBTL1HTTKMT2A
SCHEMBL3802948 0.83 GFER (0.35) LMNAALDH1A1L3MBTL1HTTKMT2A
SCHEMBL3031993 0.83 GFER (0.33) LMNAALDH1A1L3MBTL1HTTKMT2A
SCHEMBL3010865 0.83 LMNA (0.36) LMNAALDH1A1L3MBTL1HTTGAA

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 LMNA 3263/4885ALDH1A1 1128/4885L3MBTL1 1219/4885
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 LMNA 1108/4885ALDH1A1 1174/4885L3MBTL1 392/4885

“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.