SCHEMBL3798367

SCHEMBL3798367

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
TSHR P16473 2/20 0.30
SOS1 Q07889 1/20 0.30

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
SCHEMBL3792309 0.93 LMNA (0.34) ALDH1A1MMP1MMP9LMNAKMT2A
SCHEMBL3800986 0.92 TDP1 (0.35) ALDH1A1MMP1MMP9LMNAKMT2A
SCHEMBL3795274 0.90 ALDH1A1 (0.34) ALDH1A1MMP1MMP9LMNAKMT2A
SCHEMBL3797570 0.89 ALDH1A1 (0.32) ALDH1A1MMP1MMP9LMNAKMT2A
SCHEMBL3804544 0.87 HTR6 (0.32) MMP1MMP9LMNA
SCHEMBL3802086 0.87 ALDH1A1 (0.35) ALDH1A1MMP1MMP9LMNAKMT2A
SCHEMBL3799436 0.87 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AKDM4EL3MBTL1
SCHEMBL3792854 0.86 TDP1 (0.34) ALDH1A1MMP1MMP9LMNAKMT2A
SCHEMBL3796441 0.83 HTR1A (0.36) ALDH1A1LMNAKMT2AKDM4EL3MBTL1
SCHEMBL3801727 0.83 KDM4E (0.31) ALDH1A1KMT2AKDM4EMEN1

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 ALDH1A1 1174/4885MMP1 1030/4885MMP9 2771/4885

“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.