SCHEMBL689775

SCHEMBL689775

COc1ccc(-c2[nH]c(C(=O)NCCCCCC(=O)NO)c(-c3ccccc3)c2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.48
HDAC1 Q13547 19/20 0.48
HDAC2 Q92769 10/20 0.48
HDAC3 O15379 9/20 0.48
HDAC4 P56524 9/20 0.48
HDAC7 Q8WUI4 9/20 0.48
HDAC10 Q969S8 9/20 0.48
HDAC11 Q96DB2 9/20 0.48
HDAC8 Q9BY41 9/20 0.48
HDAC9 Q9UKV0 9/20 0.48
HDAC5 Q9UQL6 9/20 0.48

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
SCHEMBL10064355 1.00 HDAC6 (0.48) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL8243046 0.96 HDAC6 (0.51) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL13597945 0.92 SMN1; SMN2 (0.41) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL8240931 0.92 HDAC6 (0.53) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL13598059 0.91 SMN1; SMN2 (0.41) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL10063854 0.87 HDAC1 (0.48) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL13596758 0.87 HDAC6 (0.52) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL4891008 0.85 HDAC6 (0.49) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL8238541 0.85 HDAC1 (0.44) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL8232062 0.83 MEN1 (0.44) HDAC6HDAC1HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975158-B9 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2012-02-29 EP claimed
EP-1975158-B1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2011-07-13 EP claimed
US-7638550-B2 new compounds derived from formula I pyrroles, methods for obtaining them and their application as drugs in pharmaceutical compositions for the treatment of cancer due to their inhibitory activity on certain histone deacetylases. Universidad del Pais Vasco-Euskal Herriko Unibertsitatea (UPV-EHU) Fundacion Centro Nacional de Investigaciones Oncologicas Carlos III (CNIO) (ES) 2009-12-29 US claimed
EP-1975158-B9 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2012-02-29 EP disclosed
EP-1975158-B9 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2012-02-29 EP disclosed
EP-1975158-B1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2011-07-13 EP disclosed
EP-1975158-B1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIV PAIS VASCO (ES) 2011-07-13 EP disclosed
US-7638550-B2 new compounds derived from formula I pyrroles, methods for obtaining them and their application as drugs in pharmaceutical compositions for the treatment of cancer due to their inhibitory activity on certain histone deacetylases. Universidad del Pais Vasco-Euskal Herriko Unibertsitatea (UPV-EHU) Fundacion Centro Nacional de Investigaciones Oncologicas Carlos III (CNIO) (ES) 2009-12-29 US disclosed
US-7638550-B2 new compounds derived from formula I pyrroles, methods for obtaining them and their application as drugs in pharmaceutical compositions for the treatment of cancer due to their inhibitory activity on certain histone deacetylases. Universidad del Pais Vasco-Euskal Herriko Unibertsitatea (UPV-EHU) Fundacion Centro Nacional de Investigaciones Oncologicas Carlos III (CNIO) (ES) 2009-12-29 US disclosed
US-7638550-B2 new compounds derived from formula I pyrroles, methods for obtaining them and their application as drugs in pharmaceutical compositions for the treatment of cancer due to their inhibitory activity on certain histone deacetylases. Universidad del Pais Vasco-Euskal Herriko Unibertsitatea (UPV-EHU) Fundacion Centro Nacional de Investigaciones Oncologicas Carlos III (CNIO) (ES) 2009-12-29 US disclosed
US-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (CNIO) (ES) 2008-10-23 US disclosed
US-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (CNIO) (ES) 2008-10-23 US disclosed
EP-1975158-A1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIVERSIDAD DEL PAIS VASCO-EUSKAL HERRIKO UNIBERSITATEA (ES) 2008-10-01 EP disclosed
WO-2007074176-A1 NOVEL PYRROLE DERIVATIVES WITH HISTONE DEACETYLASE INHIBITOR ACTIVITY UNIVERSIDAD DEL PAIS VASCO - EUSKAL HERRIKO UNIBERTSITATEA (UPV-EHU) (ES) 2007-07-05 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-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity HDAC1, HDAC11, HDAC5 HDAC6 6/4885HDAC1 1/4885HDAC2 4/4885

“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.