SCHEMBL3029588

SCHEMBL3029588

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)/C1=C\c1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
TXNRD1 Q16881 2/20 0.31
HTR6 P50406 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
ALDH3A1 P30838 1/20 0.31
CFTR P13569 1/20 0.31
CNR1 P21554 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
ELANE P08246 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
SCHEMBL3029589 1.00 XDH (0.34) XDHMEN1KMT2AGAALMNA
SCHEMBL3026535 0.92 LMNA (0.34) XDHMEN1KMT2ALMNATXNRD1
SCHEMBL3026538 0.92 LMNA (0.34) XDHMEN1KMT2ALMNATXNRD1
SCHEMBL3017313 0.89 XDH (0.37) XDHMEN1KMT2AGAALMNA
SCHEMBL3017310 0.89 XDH (0.37) XDHMEN1KMT2AGAALMNA
SCHEMBL3017904 0.87 ELANE (0.33) XDHMEN1KMT2AGAALMNA
SCHEMBL3017907 0.87 ELANE (0.33) XDHMEN1KMT2AGAALMNA
SCHEMBL3029212 0.84 HTT (0.32) XDHMEN1KMT2AGAALMNA
SCHEMBL3029213 0.84 HTT (0.32) XDHMEN1KMT2AGAALMNA
SCHEMBL3026338 0.84 XDH (0.37) XDHMEN1KMT2AGAALMNA

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 10 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-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 (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 2478/4885MEN1 4546/4885KMT2A 3104/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR XDH 1655/4885MEN1 4521/4885KMT2A 2213/4885

“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.