SCHEMBL3799400

SCHEMBL3799400

C=Cc1cccc([N+](=O)[O-])c1CC1C(=O)N(C)C(C)(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.36
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MMP2 P08253 1/20 0.32
MEN1 O00255 3/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.31
NOD2 Q9HC29 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CNR1 P21554 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
GAA P10253 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
SCHEMBL3802083 0.92 XDH (0.35) XDHKMT2AMAPTALDH1A1HTT
SCHEMBL3797577 0.87 XDH (0.33) XDHKMT2AMAPTALDH1A1HTT
SCHEMBL3796896 0.86 HSD17B10 (0.35) ALDH1A1HTTNPSR1TDP1MMP2
SCHEMBL3029327 0.85 MMP2 (0.34) KMT2AMAPTALDH1A1HTTKDM4E
SCHEMBL3017899 0.84 ALDH1A1 (0.39) KMT2AMAPTALDH1A1HTTKDM4E
SCHEMBL3796575 0.83 MAPT (0.34) XDHKMT2AMAPTALDH1A1HTT
SCHEMBL3793857 0.83
SCHEMBL3022022 0.82 ALDH1A1 (0.40) KMT2AMAPTALDH1A1MMP2MEN1
SCHEMBL3031270 0.81 MMP2 (0.33) KMT2AALDH1A1HTTNPSR1MMP2
SCHEMBL3803168 0.80 MAPT (0.33) XDHKMT2AMAPTALDH1A1HTT

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-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP claimed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152072-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 (1 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-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 XDH 2840/4885KMT2A 3366/4885MAPT 4822/4885

“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.