SCHEMBL3027828

SCHEMBL3027828

CN1C(=O)C(C)(Cc2ccc(F)cc2)NC(=O)C1=Cc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
HTR6 P50406 1/20 0.33
TXNRD1 Q16881 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
L3MBTL1 Q9Y468 4/20 0.30
ALDH1A1 P00352 3/20 0.30
POLB P06746 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
NSD2 O96028 1/20 0.30
DNMT1 P26358 1/20 0.30
ITGAL P20701 1/20 0.30
HTT P42858 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
SCHEMBL3027825 1.00 LMNA (0.33) LMNAHTR6TXNRD1KMT2AMEN1
SCHEMBL3029213 0.92 HTT (0.32) LMNAHTR6TXNRD1KMT2AMEN1
SCHEMBL3029212 0.92 HTT (0.32) LMNAHTR6TXNRD1KMT2AMEN1
SCHEMBL3031177 0.90 LMNA (0.37) LMNAHTR6KMT2AMEN1KDM4E
SCHEMBL3031179 0.90 LMNA (0.37) LMNAHTR6KMT2AMEN1KDM4E
SCHEMBL3016999 0.88 LMNA (0.32) LMNAHTR6TXNRD1KMT2AMEN1
SCHEMBL3016997 0.88 LMNA (0.32) LMNAHTR6TXNRD1KMT2AMEN1
SCHEMBL3010315 0.87 ALDH1A1 (0.35) LMNAKMT2AMEN1KDM4EMAPT
SCHEMBL3010317 0.87 ALDH1A1 (0.35) LMNAKMT2AMEN1KDM4EMAPT
SCHEMBL3027961 0.85 ALDH1A1 (0.36) LMNATXNRD1KMT2AMEN1KDM4E

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 LMNA 1633/4885HTR6 3356/4885TXNRD1 935/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR LMNA 3263/4885HTR6 2802/4885TXNRD1 554/4885

“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.