SCHEMBL3017310

SCHEMBL3017310

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)/C1=C\c1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CYP19A1 P11511 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NOD2 Q9HC29 1/20 0.33
ATM Q13315 1/20 0.33
CNR1 P21554 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3017313 1.00 XDH (0.37) XDHKMT2AMEN1CYP19A1POLB
SCHEMBL3017304 0.93 LMNA (0.39) XDHKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3017307 0.93 LMNA (0.39) XDHKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3029589 0.89 XDH (0.34) XDHKMT2AMEN1POLBLMNA
SCHEMBL3029588 0.89 XDH (0.34) XDHKMT2AMEN1POLBLMNA
SCHEMBL3026338 0.89 XDH (0.37) XDHKMT2AMEN1POLBLMNA
SCHEMBL3026337 0.89 XDH (0.37) XDHKMT2AMEN1POLBLMNA
SCHEMBL3793782 0.87 XDH (0.35) XDHKMT2AMEN1POLBLMNA
SCHEMBL3793780 0.87 XDH (0.35) XDHKMT2AMEN1POLBLMNA
SCHEMBL3022083 0.87 XDH (0.35) XDHKMT2AMEN1CYP19A1POLB

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 12 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-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO 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 2478/4885KMT2A 3104/4885MEN1 4546/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR XDH 1655/4885KMT2A 2213/4885MEN1 4521/4885

“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.