SCHEMBL3792115

SCHEMBL3792115

CN1C(=O)C(CF)(Cc2ccccc2)N(C)C(=O)C1=Cc1ccccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 3/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3792110 1.00 HDAC1 (0.33) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL2792341 0.94 HDAC1 (0.35) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL3023708 0.91 ELANE (0.34) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL3023709 0.91 ELANE (0.34) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL2794731 0.88 KDM4E (0.32) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL3017407 0.85 LMNA (0.40) HDAC1KDM4EHSD17B10NPSR1LMNA
SCHEMBL3017409 0.85 LMNA (0.40) HDAC1KDM4EHSD17B10NPSR1LMNA
SCHEMBL3024543 0.85 HDAC1 (0.35) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL3024546 0.85 HDAC1 (0.35) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL2794846 0.83 HDAC1 (0.34) HDAC1HPGDKDM4ETSHRHSD17B10

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
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

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 937/4885HPGD 1222/4885KDM4E 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.