SCHEMBL3024155

SCHEMBL3024155

CCC1(Cc2ccc(F)cc2)C(=O)N(C)/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
LMNA P02545 5/20 0.40
ALDH1A1 P00352 9/20 0.39
MAPT P10636 8/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP2 O95551 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3024156 1.00 XDH (0.47) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3021619 0.92 XDH (0.48) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3021621 0.92 XDH (0.48) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3802041 0.87 XDH (0.39) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3802039 0.87 XDH (0.39) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3025077 0.87 XDH (0.50) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3025080 0.87 XDH (0.50) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3017590 0.87 LMNA (0.37) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3017593 0.87 LMNA (0.37) XDHLMNAALDH1A1MAPTKMT2A
SCHEMBL3022495 0.86 ALDH1A1 (0.35) XDHLMNAALDH1A1MAPTKMT2A

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 6 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
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 XDH 2478/4885LMNA 1633/4885ALDH1A1 983/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR XDH 1655/4885LMNA 3263/4885ALDH1A1 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.