SCHEMBL12295653

SCHEMBL12295653

O=C(O)c1cnc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.43
PTPN11 Q06124 1/20 0.42
RBP4 P02753 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SLC6A7 Q99884 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
HDAC1 Q13547 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL12295621 0.87 HDAC1 (0.49) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL4652078 0.83 MAPT (0.46) MAPTKDM4EKMT2AFABP7FABP5
SCHEMBL22397770 0.82 POLB (0.52) MAPTPOLBKMT2AMEN1FABP7
SCHEMBL13327274 0.82 POLB (0.52) MAPTPOLBKMT2AMEN1FABP7
SCHEMBL9883398 0.81 KMT2A (0.44) POLBKDM4EKMT2AALDH1A1TSHR
SCHEMBL15344316 0.80 HDAC1 (0.55) POLBPTPN11SLC6A7KMT2AMEN1
SCHEMBL3219970 0.79 FABP5 (0.49) MAPTPOLBKMT2AFABP7FABP5
SCHEMBL12295654 0.78 MAPT (0.39) MAPTPOLBPTPN11KDM4EALDH1A1
SCHEMBL1919757 0.78 MAPT (0.43) MAPTPOLBPTPN11KDM4EKMT2A
SCHEMBL25417781 0.77 MAPT (0.38) MAPTPOLBKDM4ESLC6A7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426416-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-04-23 US disclosed
US-8426416-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-04-23 US disclosed
US-20110237585-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-29 US disclosed
US-20110237585-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-29 US disclosed
US-7947830-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-24 US disclosed
US-7947830-B2 Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-24 US disclosed
US-7888360-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-02-15 US disclosed
US-7888360-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-02-15 US disclosed
US-7884105-B2 2-(N'-2-amino-3,4-dioxocyclobutenyl)-N-piperazinyl)-pyrimidine-5-hydroxamic acid derivatives; antiproliferative, anticarcinogenic, and antitumor agents; psoriasis; skin, respiratory system, psychological, and genetic disorders; transplant rejection; Alzheimer's and Parkinson's disease; vision defects JANSSEN PHARMACEUTICA, N.V. (BE) 2011-02-08 US disclosed
US-7884105-B2 2-(N'-2-amino-3,4-dioxocyclobutenyl)-N-piperazinyl)-pyrimidine-5-hydroxamic acid derivatives; antiproliferative, anticarcinogenic, and antitumor agents; psoriasis; skin, respiratory system, psychological, and genetic disorders; transplant rejection; Alzheimer's and Parkinson's disease; vision defects JANSSEN PHARMACEUTICA, N.V. (BE) 2011-02-08 US disclosed
US-20090036463-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-05 US disclosed
US-20090036463-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-05 US disclosed
US-20080255140-A1 Squaric Acid Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-16 US disclosed
US-20080255140-A1 Squaric Acid Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-16 US disclosed
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN-CILAG (BE) 2007-06-14 US disclosed
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN-CILAG (BE) 2007-06-14 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 (4 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-20090036463-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MAPT 3260/4885POLB 325/4885PTPN11 3323/4885
US-20080255140-A1 Squaric Acid Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 MAPT 3262/4885POLB 902/4885PTPN11 4268/4885
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 MAPT 3052/4885POLB 504/4885PTPN11 3770/4885
US-20110237585-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 MAPT 3052/4885POLB 504/4885PTPN11 3770/4885

“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.