SCHEMBL3800550

SCHEMBL3800550

C=Cc1cccc([N+](=O)[O-])c1/C=C1\C(=O)NC(C)(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.36
ALDH1A1 P00352 9/20 0.36
MAPT P10636 8/20 0.36
KMT2A Q03164 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 4/20 0.34
RECQL P46063 3/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 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
SCHEMBL3800553 1.00 XDH (0.36) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3797122 0.92 XDH (0.38) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3797119 0.92 XDH (0.38) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3031179 0.89 LMNA (0.37) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3031177 0.89 LMNA (0.37) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3010315 0.88 ALDH1A1 (0.35) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3010317 0.88 ALDH1A1 (0.35) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3793818 0.88 XDH (0.35) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3793815 0.88 XDH (0.35) XDHALDH1A1MAPTKMT2AKDM4E
SCHEMBL3031290 0.87 XDH (0.45) 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.