SCHEMBL3023623

SCHEMBL3023623

CN1C(=O)C(C)(Cc2ccccc2)NC(=O)C1=Cc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
XDH P47989 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
CYP19A1 P11511 1/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
GAA P10253 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
SCHEMBL3023619 1.00 HTT (0.34) HTTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL3031179 0.93 LMNA (0.37) HTTALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL3031177 0.93 LMNA (0.37) HTTALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL3029213 0.90 HTT (0.32) HTTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL3029212 0.90 HTT (0.32) HTTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL3026110 0.89 HTT (0.34) HTTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL3026114 0.89 HTT (0.34) HTTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL3797122 0.87 XDH (0.38) HTTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL3029797 0.87 TDP1 (0.34) HTTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL3029580 0.87 MAPT (0.40) HTTALDH1A1L3MBTL1KMT2ATDP1

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 12 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
EP-2054395-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-2008152073-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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 HTT 1728/4885ALDH1A1 983/4885L3MBTL1 593/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR HTT 1166/4885ALDH1A1 1128/4885L3MBTL1 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.