SCHEMBL3795119

SCHEMBL3795119

CN1C(=O)C(C)(Cc2cccc(C#N)c2)N(C)C(=O)C1=Cc1ccccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.36
BACE1 P56817 1/20 0.35
NSD2 O96028 1/20 0.34
KCNH2 Q12809 2/20 0.34
KCNJ1 P48048 1/20 0.34
GRM5 P41594 1/20 0.34
RIPK1 Q13546 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
HDAC1 Q13547 1/20 0.32
CREBBP Q92793 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PARG Q86W56 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL3795118 1.00 IDH1 (0.36) IDH1BACE1NSD2KCNH2KCNJ1
SCHEMBL3024546 0.91 HDAC1 (0.35) BACE1NPSR1HDAC1
SCHEMBL3024543 0.91 HDAC1 (0.35) BACE1NPSR1HDAC1
SCHEMBL3795077 0.88 HTT (0.41) KCNH2KCNJ1NPSR1
SCHEMBL3795082 0.88 HTT (0.41) KCNH2KCNJ1NPSR1
SCHEMBL3792514 0.88 MEN1 (0.35) NPSR1
SCHEMBL3792509 0.88 MEN1 (0.35) NPSR1
SCHEMBL3795369 0.86 NPSR1 (0.37) NPSR1HDAC1
SCHEMBL3795374 0.86 NPSR1 (0.37) NPSR1HDAC1
SCHEMBL3803259 0.85 HDAC1 (0.34) BACE1HDAC1CREBBPPARG

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 6 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
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO 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 IDH1 205/4885BACE1 3031/4885NSD2 1556/4885

“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.