SCHEMBL3029327

SCHEMBL3029327

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
KMT2A Q03164 5/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 3/20 0.32
GAA P10253 2/20 0.32
CNR1 P21554 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 4/20 0.32
FGB P02675 1/20 0.31
S100A4 P26447 1/20 0.31
KEAP1 Q14145 1/20 0.31
PLEC Q15149 1/20 0.31
NFE2L2 Q16236 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL3010865 0.93 LMNA (0.36) KMT2ALMNAHTTGAAALDH1A1
SCHEMBL3031270 0.89 MMP2 (0.33) MMP2KMT2ALMNASMN1; SMN2HTT
SCHEMBL3796896 0.89 HSD17B10 (0.35) MMP2LMNASMN1; SMN2HTTCNR1
SCHEMBL3801876 0.86 ELANE (0.33) MMP2KMT2ALMNASMN1; SMN2HTT
SCHEMBL3017899 0.86 ALDH1A1 (0.39) KMT2ALMNASMN1; SMN2HTTGAA
SCHEMBL3799400 0.85 XDH (0.36) MMP2KMT2ALMNASMN1; SMN2HTT
SCHEMBL3797892 0.84 ALDH1A1 (0.36) KMT2ALMNASMN1; SMN2HTTGAA
SCHEMBL3022022 0.84 ALDH1A1 (0.40) MMP2KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3023554 0.83 CAPN1 (0.42) MMP2KMT2AHTTGAAALDH1A1
SCHEMBL3022412 0.83 TDP2 (0.35) KMT2ALMNASMN1; SMN2HTTGAA

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 MMP2 1650/4885KMT2A 2213/4885LMNA 3263/4885
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 MMP2 923/4885KMT2A 3366/4885LMNA 1108/4885

“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.