SCHEMBL3017593

SCHEMBL3017593

CCC1(Cc2ccc(F)cc2)C(=O)N(C)C(=Cc2c(F)cccc2[N+](=O)[O-])C(=O)N1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
XDH P47989 1/20 0.34
ALDH1A1 P00352 8/20 0.33
HTR6 P50406 1/20 0.32
KMT2A Q03164 6/20 0.32
MAPT P10636 5/20 0.32
MEN1 O00255 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MCL1 Q07820 2/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 3/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3017590 1.00 LMNA (0.37) LMNAXDHALDH1A1HTR6KMT2A
SCHEMBL3022083 0.93 XDH (0.35) LMNAXDHALDH1A1KMT2AMAPT
SCHEMBL3022085 0.93 XDH (0.35) LMNAXDHALDH1A1KMT2AMAPT
SCHEMBL3022497 0.92 ALDH1A1 (0.35) LMNAXDHALDH1A1HTR6KMT2A
SCHEMBL3022495 0.92 ALDH1A1 (0.35) LMNAXDHALDH1A1HTR6KMT2A
SCHEMBL3024223 0.90 ALDH1A1 (0.37) LMNAXDHALDH1A1KMT2AMAPT
SCHEMBL3024224 0.90 ALDH1A1 (0.37) LMNAXDHALDH1A1KMT2AMAPT
SCHEMBL3802039 0.89 XDH (0.39) LMNAXDHALDH1A1HTR6KMT2A
SCHEMBL3802041 0.89 XDH (0.39) LMNAXDHALDH1A1HTR6KMT2A
SCHEMBL3021587 0.89 HTR6 (0.34) LMNAXDHALDH1A1HTR6KMT2A

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 LMNA 1633/4885XDH 2478/4885ALDH1A1 983/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR LMNA 3263/4885XDH 1655/4885ALDH1A1 1128/4885

“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.