SCHEMBL3026535

SCHEMBL3026535

CN1C(=O)C(C)(Cc2ccc(F)cc2)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
LMNA P02545 5/20 0.34
TXNRD1 Q16881 1/20 0.34
HTR6 P50406 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
XDH P47989 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 3/20 0.32
MCL1 Q07820 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 3/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PMM2 O15305 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
SCHEMBL3026538 1.00 LMNA (0.34) LMNATXNRD1HTR6ITGB2ICAM1
SCHEMBL3029588 0.92 XDH (0.34) LMNATXNRD1HTR6ITGB2ICAM1
SCHEMBL3029589 0.92 XDH (0.34) LMNATXNRD1HTR6ITGB2ICAM1
SCHEMBL3017304 0.88 LMNA (0.39) LMNAHTR6KCNJ1KCNH2XDH
SCHEMBL3017307 0.88 LMNA (0.39) LMNAHTR6KCNJ1KCNH2XDH
SCHEMBL3021585 0.87 HTR6 (0.34) LMNATXNRD1HTR6XDHMEN1
SCHEMBL3021587 0.87 HTR6 (0.34) LMNATXNRD1HTR6XDHMEN1
SCHEMBL3021816 0.85 ALDH1A1 (0.36) LMNAHTR6KCNJ1KCNH2XDH
SCHEMBL3021817 0.85 ALDH1A1 (0.36) LMNAHTR6KCNJ1KCNH2XDH
SCHEMBL3027828 0.84 LMNA (0.33) LMNATXNRD1HTR6ITGALKCNJ1

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-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION 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 1633/4885TXNRD1 935/4885HTR6 3356/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR LMNA 3263/4885TXNRD1 554/4885HTR6 2802/4885

“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.