SCHEMBL3795274

SCHEMBL3795274

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 3/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MCL1 Q07820 1/20 0.31
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
TDP2 O95551 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HCRTR2 O43614 1/20 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
SCHEMBL3796441 0.93 HTR1A (0.36) ALDH1A1NPSR1GPR55L3MBTL1HTT
SCHEMBL3792309 0.90 LMNA (0.34) ALDH1A1L3MBTL1HTTLMNAKMT2A
SCHEMBL3798367 0.90 ALDH1A1 (0.34) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL3021663 0.88 ALDH1A1 (0.36) ALDH1A1NPSR1GPR55L3MBTL1HTT
SCHEMBL3797570 0.86 ALDH1A1 (0.32) ALDH1A1NPSR1HTTLMNAMAPT
SCHEMBL3804544 0.85 HTR6 (0.32) LMNAMMP1MMP9
SCHEMBL3799436 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL3792854 0.84 TDP1 (0.34) ALDH1A1NPSR1GPR55L3MBTL1HTT
SCHEMBL3792570 0.83 GRIN1 (0.33) ALDH1A1HCRTR2KDM4E
SCHEMBL3796588 0.82 TXNRD1 (0.35) ALDH1A1NPSR1GPR55L3MBTL1HTT

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 1174/4885NPSR1 594/4885GPR55 2522/4885

“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.