SCHEMBL3799488

SCHEMBL3799488

C=Cc1cccc([N+](=O)[O-])c1/C=C1\C(=O)NC(CC)(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.37
MAPT P10636 7/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TDP2 O95551 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
MEN1 O00255 2/20 0.32
CYP2C9 P11712 1/20 0.32
POLB P06746 2/20 0.32
NOD2 Q9HC29 1/20 0.32
ELANE P08246 1/20 0.31
LMNA P02545 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
SCHEMBL3792545 1.00 XDH (0.37) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3792542 1.00 XDH (0.37) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3793815 0.92 XDH (0.35) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3793818 0.92 XDH (0.35) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3026542 0.88 TDP1 (0.34) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3026544 0.88 TDP1 (0.34) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3028497 0.88 XDH (0.44) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3028498 0.88 XDH (0.44) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3029797 0.87 TDP1 (0.34) XDHMAPTALDH1A1KDM4EKMT2A
SCHEMBL3797119 0.87 XDH (0.38) XDHMAPTALDH1A1KDM4EKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP 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 (1 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 2478/4885MAPT 4811/4885ALDH1A1 983/4885

“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.