SCHEMBL3022341

SCHEMBL3022341

CN1C(=O)C(C)(Cc2ccccc2)NC(=O)C1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
GFER P55789 1/20 0.37
PTPN1 P18031 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.36
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL3021818 0.92 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2CES2HTT
SCHEMBL3802948 0.87 GFER (0.35) ALDH1A1LMNASMN1; SMN2GFERHTT
SCHEMBL3796891 0.85 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2CES2SIGMAR1
SCHEMBL3021682 0.85 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2GFERHTT
SCHEMBL3026760 0.83 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2GFERHTT
SCHEMBL3796575 0.83 MAPT (0.34) ALDH1A1LMNAGFERHTTL3MBTL1
SCHEMBL3031993 0.82 GFER (0.33) ALDH1A1LMNASMN1; SMN2GFERHTT
SCHEMBL3022022 0.81 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2CES2SIGMAR1
SCHEMBL3031573 0.80 DPP4 (0.39) ALDH1A1GFERTSHR
SCHEMBL3022044 0.78 LMNA (0.35) ALDH1A1LMNAHTTL3MBTL1

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 15 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-1971580-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-02-24 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 1128/4885LMNA 3263/4885SMN1; SMN2 2725/4885
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 ALDH1A1 1174/4885LMNA 1108/4885SMN1; SMN2 3958/4885

“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.