SCHEMBL3024308

SCHEMBL3024308

CCC1(Cc2ccccc2)NC(=O)/C(=C\c2c(OC)cccc2[N+](=O)[O-])N(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 3/20 0.37
PLIN1 O60240 2/20 0.37
PLIN5 Q00G26 2/20 0.37
ABHD5 Q8WTS1 2/20 0.37
PABPC1 P11940 1/20 0.37
ESRRA P11474 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GSK3B P49841 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
PIM1 P11309 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3024312 1.00 MAPT (0.39) MAPTPKMALDH1A1KDM4EPLIN1
SCHEMBL3017571 0.93 ALDH1A1 (0.34) MAPTPKMALDH1A1KDM4EPLIN1
SCHEMBL3017568 0.93 ALDH1A1 (0.34) MAPTPKMALDH1A1KDM4EPLIN1
SCHEMBL3026544 0.88 TDP1 (0.34) MAPTALDH1A1KDM4ENPSR1GPR55
SCHEMBL3026542 0.88 TDP1 (0.34) MAPTALDH1A1KDM4ENPSR1GPR55
SCHEMBL3029581 0.87 MAPT (0.40) MAPTPKMALDH1A1KDM4EPLIN1
SCHEMBL3029797 0.87 TDP1 (0.34) MAPTPKMALDH1A1KDM4ENPSR1
SCHEMBL3029795 0.87 TDP1 (0.34) MAPTPKMALDH1A1KDM4ENPSR1
SCHEMBL3029580 0.87 MAPT (0.40) MAPTPKMALDH1A1KDM4EPLIN1
SCHEMBL3792545 0.86 XDH (0.37) MAPTPKMALDH1A1KDM4ENPSR1

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 8 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
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION 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 MAPT 4811/4885PKM 4684/4885ALDH1A1 983/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR MAPT 3519/4885PKM 497/4885ALDH1A1 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.