SCHEMBL763191

SCHEMBL763191

CCOC(=O)c1cnc(N2CCOC(CNC(=O)OC(C)(C)C)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ACACB O00763 1/20 0.40
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
OGA O60502 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
SCHEMBL753721 0.88 HPGD (0.47) CHEK1CHEK2HDAC1RAF1BRAF
SCHEMBL13304547 0.83 CHEK1 (0.48) CHEK1CHEK2HDAC6HDAC3HDAC4
SCHEMBL1010636 0.81 ACACB (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL753771 0.81 CHEK1 (0.58) CHEK1CHEK2HDAC6HDAC3HDAC4
SCHEMBL13538787 0.80 HDAC6 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13304515 0.79 CHEK1 (0.43) CHEK1CHEK2HDAC6HDAC3HDAC4
SCHEMBL13538789 0.79 P2RY12 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4740157 0.79 CHEK1 (0.73) CHEK1CHEK2MAPTL3MBTL1KDM4E
SCHEMBL4740317 0.77 CHEK1 (0.53) CHEK1CHEK2RAF1BRAFCKS1B
SCHEMBL20552595 0.77 OGA (0.44) HDAC3HDAC1HDAC2HDAC8ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 US disclosed
US-7834011-B2 Heterocyclylalkyl derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 US disclosed
US-7834011-B2 Heterocyclylalkyl derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 US disclosed
US-20090023726-A1 Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase JANSSEN-CILAG (FR) 2009-01-22 US disclosed
US-20090023726-A1 Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase JANSSEN-CILAG (FR) 2009-01-22 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-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC2, HDAC3 CHEK1 1813/4885CHEK2 725/4885HDAC6 10/4885
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 CHEK1 1813/4885CHEK2 725/4885HDAC6 10/4885
US-20100160321-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 CHEK1 845/4885CHEK2 477/4885HDAC6 11/4885
US-20090023726-A1 Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 CHEK1 965/4885CHEK2 640/4885HDAC6 10/4885

“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.