SCHEMBL3028498

SCHEMBL3028498

CCC1(Cc2ccccc2)NC(=O)C(=Cc2ccccc2[N+](=O)[O-])N(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.44
TDP2 O95551 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
MAPT P10636 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
ELANE P08246 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3028497 1.00 XDH (0.44) XDHTDP2CASP7CASP9CASP6
SCHEMBL3025272 0.92 XDH (0.43) XDHTDP2CASP7CASP9CASP6
SCHEMBL3025270 0.92 XDH (0.43) XDHTDP2CASP7CASP9CASP6
SCHEMBL3792542 0.88 XDH (0.37) XDHTDP2CASP7CASP9CASP6
SCHEMBL3799488 0.88 XDH (0.37) XDHTDP2CASP7CASP9CASP6
SCHEMBL3792545 0.88 XDH (0.37) XDHTDP2CASP7CASP9CASP6
SCHEMBL3026542 0.86 TDP1 (0.34) XDHTDP2CASP7CASP9CASP6
SCHEMBL3026544 0.86 TDP1 (0.34) XDHTDP2CASP7CASP9CASP6
SCHEMBL3029797 0.85 TDP1 (0.34) XDHTDP2CASP7CASP9CASP6
SCHEMBL3029795 0.85 TDP1 (0.34) XDHTDP2CASP7CASP9CASP6

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 XDH 2478/4885TDP2 3709/4885CASP7 379/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR XDH 1655/4885TDP2 1939/4885CASP7 3035/4885

“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.