SCHEMBL3022085

SCHEMBL3022085

CCC1(Cc2ccccc2)C(=O)N(C)C(=Cc2c(F)cccc2[N+](=O)[O-])C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ELANE P08246 1/20 0.33
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
CYP19A1 P11511 1/20 0.32
PKM P14618 1/20 0.32
NOD2 Q9HC29 1/20 0.32
HTT P42858 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ATM Q13315 1/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL3022083 1.00 XDH (0.35) XDHKMT2AMEN1ELANELMNA
SCHEMBL3017590 0.93 LMNA (0.37) XDHKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3017593 0.93 LMNA (0.37) XDHKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3017907 0.90 ELANE (0.33) XDHKMT2AMEN1ELANELMNA
SCHEMBL3017904 0.90 ELANE (0.33) XDHKMT2AMEN1ELANELMNA
SCHEMBL3010856 0.89 XDH (0.35) XDHKMT2AMEN1ELANELMNA
SCHEMBL3010852 0.89 XDH (0.35) XDHKMT2AMEN1ELANELMNA
SCHEMBL3017313 0.87 XDH (0.37) XDHKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3017310 0.87 XDH (0.37) XDHKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3022235 0.87 XDH (0.40) XDHKMT2AMEN1ELANELMNA

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
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-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 XDH 2478/4885KMT2A 3104/4885MEN1 4546/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR XDH 1655/4885KMT2A 2213/4885MEN1 4521/4885

“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.