SCHEMBL3802091

SCHEMBL3802091

C=Cc1cccc([N+](=O)[O-])c1CC1C(=O)N(C)C(CC)(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
XDH P47989 1/20 0.32
ALDH1A1 P00352 4/20 0.31
PKM P14618 1/20 0.31
HTR6 P50406 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3797577 0.92 XDH (0.33) LMNAXDHALDH1A1KDM4EMAPT
SCHEMBL3793891 0.88 LMNA (0.37) LMNAALDH1A1HTR6KDM4EMAPT
SCHEMBL3802083 0.88 XDH (0.35) LMNAXDHALDH1A1PKMKDM4E
SCHEMBL3800692 0.88 ALDH1A1 (0.35) LMNAALDH1A1HTR6KDM4EMAPT
SCHEMBL3796588 0.86 TXNRD1 (0.35) LMNAALDH1A1PKMKDM4EMAPT
SCHEMBL3792315 0.84
SCHEMBL3797570 0.83 ALDH1A1 (0.32) LMNAXDHALDH1A1PKMKDM4E
SCHEMBL3804536 0.83 TXNRD1 (0.34) LMNAHTR6KMT2A
SCHEMBL3796912 0.83 ALDH1A1 (0.39) LMNAALDH1A1HTR6KDM4EMAPT
SCHEMBL3801876 0.82 ELANE (0.33) LMNAALDH1A1PKMKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP claimed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152072-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-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 LMNA 1108/4885XDH 2840/4885ALDH1A1 1174/4885

“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.