SCHEMBL3801876

SCHEMBL3801876

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.33
MMP2 P08253 1/20 0.33
LMNA P02545 4/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
CYP19A1 P11511 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL3793891 0.93 LMNA (0.37) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3792828 0.90 ELANE (0.33) ELANEGAAMMP2LMNAALDH1A1
SCHEMBL3802085 0.89 HSD17B10 (0.34) ELANEGAAMMP2LMNAALDH1A1
SCHEMBL3797935 0.87 ALDH1A1 (0.38) LMNAALDH1A1SMN1; SMN2PKMHTT
SCHEMBL3029327 0.86 MMP2 (0.34) GAAMMP2LMNAALDH1A1SMN1; SMN2
SCHEMBL3797577 0.86 XDH (0.33) ELANEGAAMMP2LMNAALDH1A1
SCHEMBL3800988 0.85 ALDH1A1 (0.41) ELANEMMP2LMNAALDH1A1SMN1; SMN2
SCHEMBL3800692 0.85 ALDH1A1 (0.35) LMNAALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL3796588 0.83 TXNRD1 (0.35) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL3797044 0.83 ELANE (0.31) ELANEKDM4E

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 ELANE 2590/4885GAA 3583/4885MMP2 923/4885

“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.