SCHEMBL3800988

SCHEMBL3800988

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ELANE P08246 1/20 0.36
GSK3B P49841 1/20 0.36
MMP2 P08253 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL3796912 0.92 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2CES2GSK3B
SCHEMBL3802085 0.86 HSD17B10 (0.34) ALDH1A1LMNASMN1; SMN2ELANEMMP2
SCHEMBL3801876 0.85 ELANE (0.33) ALDH1A1LMNASMN1; SMN2ELANEMMP2
SCHEMBL3022022 0.85 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2CES2SIGMAR1
SCHEMBL3797935 0.83 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL3797577 0.83 XDH (0.33) ALDH1A1LMNASMN1; SMN2ELANEMMP2
SCHEMBL3792828 0.82 ELANE (0.33) ALDH1A1LMNASMN1; SMN2ELANEMMP2
SCHEMBL3803365 0.81 DPP4 (0.38) ELANEACHETSHR
SCHEMBL3796891 0.79 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2CES2SIGMAR1
SCHEMBL3022115 0.79 GSK3B (0.47) ALDH1A1CES2SIGMAR1GSK3BMMP2

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 1174/4885LMNA 1108/4885SMN1; SMN2 3958/4885

“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.