SCHEMBL3795535

SCHEMBL3795535

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)C1=Cc1c(C#N)cccc1C#N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.34
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BACE1 P56817 2/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
LMNA P02545 1/20 0.31
HTR7 P34969 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
SCHEMBL3795534 1.00 ELANE (0.34) ELANENR3C1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3015521 0.94 KDM4E (0.32) ELANENR3C1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3022092 0.93 PGR (0.32) ELANENR3C1GRIA2GRIA4HTR7
SCHEMBL3800289 0.93 ITGB2 (0.33) ELANENR3C1ITGB2ICAM1ITGAL
SCHEMBL3800288 0.93 ITGB2 (0.33) ELANENR3C1ITGB2ICAM1ITGAL
SCHEMBL3022091 0.93 PGR (0.32) ELANENR3C1GRIA2GRIA4HTR7
SCHEMBL3795466 0.92 RIPK1 (0.31) ELANEGRIA2GRIA4
SCHEMBL3795469 0.92 RIPK1 (0.31) ELANEGRIA2GRIA4
SCHEMBL3029255 0.91 PKM (0.36) SMN1; SMN2ALDH1A1TSHRHSD17B10GRIA2
SCHEMBL3029253 0.91 PKM (0.36) SMN1; SMN2ALDH1A1TSHRHSD17B10GRIA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152073-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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 ELANE 3135/4885NR3C1 273/4885KDM4E 4015/4885

“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.