SCHEMBL3803262

SCHEMBL3803262

CN1C(=O)C(C)(Cc2ccccc2C#N)N(C)C(=O)C1=Cc1ccccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
BACE1 P56817 1/20 0.33
KMT2A Q03164 3/20 0.32
DPP4 P27487 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DUSP26 Q9BV47 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CREBBP Q92793 1/20 0.31
MEN1 O00255 1/20 0.31
PARG Q86W56 1/20 0.31
P2RX7 Q99572 1/20 0.30
HSD11B1 P28845 1/20 0.30
TSHR P16473 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
SCHEMBL3803259 1.00 HDAC1 (0.34) HDAC1BACE1KMT2ADPP4SMN1; SMN2
SCHEMBL3024546 0.90 HDAC1 (0.35) HDAC1BACE1SMN1; SMN2TSHR
SCHEMBL3024543 0.90 HDAC1 (0.35) HDAC1BACE1SMN1; SMN2TSHR
SCHEMBL3800792 0.89 PGR (0.34) HDAC1KMT2AMEN1
SCHEMBL3800790 0.89 PGR (0.34) HDAC1KMT2AMEN1
SCHEMBL3791412 0.86 TNF (0.36) HDAC1KMT2ASMN1; SMN2DUSP26MEN1
SCHEMBL3791411 0.86 TNF (0.36) HDAC1KMT2ASMN1; SMN2DUSP26MEN1
SCHEMBL3026281 0.86 LMNA (0.42) HDAC1KMT2ASMN1; SMN2MEN1
SCHEMBL3026279 0.86 LMNA (0.42) HDAC1KMT2ASMN1; SMN2MEN1
SCHEMBL3795398 0.86 NPSR1 (0.35) HDAC1KMT2ADPP4MEN1

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 HDAC1 937/4885BACE1 3031/4885KMT2A 3104/4885

“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.