SCHEMBL2794403

SCHEMBL2794403

CN1C(=O)C(Cc2ccccc2)N(C)C(=O)/C1=C/c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
HDAC1 Q13547 1/20 0.37
CAPN1 P07384 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
AR P10275 1/20 0.34
DPP4 P27487 1/20 0.34
CES2 O00748 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
TACR1 P25103 1/20 0.32
RIPK1 Q13546 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL2794405 1.00 GFER (0.39) GFERHDAC1CAPN1HDAC6AR
SCHEMBL3123810 0.91 LMNA (0.42) GFERHDAC1CAPN1HDAC6DPP4
SCHEMBL3021565 0.87 GFER (0.34) GFERCAPN1HDAC6ARDPP4
SCHEMBL3021562 0.87 GFER (0.34) GFERCAPN1HDAC6ARDPP4
SCHEMBL3123749 0.84 GFER (0.35) GFERDPP4PLA2G10PLA2G5RIPK1
SCHEMBL3123755 0.84 GFER (0.35) GFERDPP4PLA2G10PLA2G5RIPK1
SCHEMBL3022438 0.84 GFER (0.35) GFERCAPN1HDAC6ARDPP4
SCHEMBL3022436 0.84 GFER (0.35) GFERCAPN1HDAC6ARDPP4
SCHEMBL3118211 0.84 MAPT (0.41) HDAC1MEN1KMT2A
SCHEMBL3112948 0.84 GFER (0.35) GFERCAPN1HDAC6CES2PLA2G10

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-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
EP-2061770-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2009-05-27 EP disclosed
WO-2009000757-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2008-12-31 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 (3 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 GFER 739/4885HDAC1 937/4885CAPN1 355/4885
US-20100167933-A1 Piperazine Compounds With Herbicidal Action PRXL2A, CBR1, CBR3 GFER 332/4885HDAC1 1015/4885CAPN1 1183/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR GFER 47/4885HDAC1 3695/4885CAPN1 3690/4885

“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.