SCHEMBL3017571

SCHEMBL3017571

CCC1(Cc2ccc(F)cc2)NC(=O)C(=Cc2c(OC)cccc2[N+](=O)[O-])N(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
MAPT P10636 7/20 0.34
KMT2A Q03164 7/20 0.34
MEN1 O00255 4/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MCL1 Q07820 2/20 0.34
ESRRA P11474 1/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
PLIN1 O60240 2/20 0.33
PLIN5 Q00G26 2/20 0.33
ABHD5 Q8WTS1 2/20 0.33
PKM P14618 1/20 0.33
PABPC1 P11940 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3017568 1.00 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3024308 0.93 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL3024312 0.93 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL3021615 0.90 LMNA (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3021613 0.90 LMNA (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3027787 0.90 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3027788 0.90 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3027964 0.88 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3027961 0.88 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3793815 0.87 XDH (0.35) ALDH1A1MAPTKMT2AMEN1LMNA

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 ALDH1A1 983/4885MAPT 4811/4885KMT2A 3104/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ALDH1A1 1128/4885MAPT 3519/4885KMT2A 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.