SCHEMBL3802041

SCHEMBL3802041

C=Cc1cccc([N+](=O)[O-])c1C=C1C(=O)N(C)C(CC)(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR6 P50406 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL3802039 1.00 XDH (0.39) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3022235 0.92 XDH (0.40) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3022233 0.92 XDH (0.40) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3017593 0.89 LMNA (0.37) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3017590 0.89 LMNA (0.37) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3022497 0.88 ALDH1A1 (0.35) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3022495 0.88 ALDH1A1 (0.35) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3796155 0.88 XDH (0.40) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3796153 0.88 XDH (0.40) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3024155 0.87 XDH (0.47) XDHALDH1A1MAPTKMT2AKDM4E

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 2478/4885ALDH1A1 983/4885MAPT 4811/4885

“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.