SCHEMBL4173154

SCHEMBL4173154

O=C(CCC1CCCC1)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
NCOR2 Q9Y618 1/20 0.50
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALPL P05186 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL4167123 0.98 HPGD (0.66) HPGDHDAC3HDAC1HDAC2HDAC10
SCHEMBL29756120 0.87 HDAC3 (0.56) HPGDHDAC3HDAC1HDAC2HDAC10
SCHEMBL4170376 0.85 HDAC3 (0.55) HPGDHDAC3HDAC1HDAC2HDAC10
SCHEMBL11331863 0.85 HPGD (0.56) HPGDHDAC3HDAC1HDAC2HDAC10
SCHEMBL22190364 0.84 HDAC1 (0.58) HPGDHDAC3HDAC1HDAC2HDAC10
SCHEMBL6392074 0.80 HPGD (0.60) HPGDGAAALDH1A1NPC1RAB9A
SCHEMBL27586344 0.79 HPGD (0.50) HPGDGAAALDH1A1NPC1RAB9A
SCHEMBL10568275 0.78 HPGD (0.63) HPGDGAAALDH1A1NPC1RAB9A
SCHEMBL5245833 0.78 HPGD (0.63) HPGDGAAALDH1A1NPC1RAB9A
SCHEMBL20372840 0.78 HPGD (0.63) HPGDGAAALDH1A1NPC1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227516-B2 Compounds as histone deacetylase inhibitors 4SC DISCOVERY GMBH (DE) 2012-07-24 US claimed
US-20160378912-A1 STRUCTURE-BASED MODELING AND TARGET-SELECTIVITY PREDICTION EPIGENETX LLC (US) 2016-12-29 US disclosed
US-20160378912-A1 STRUCTURE-BASED MODELING AND TARGET-SELECTIVITY PREDICTION EPIGENETX LLC (US) 2016-12-29 US disclosed
WO-2015002860-A1 STRUCTURE-BASED MODELING AND TARGET-SELECTIVITY PREDICTION EPIGENETX, LLC (US) 2015-01-08 WO disclosed
US-8227516-B2 Compounds as histone deacetylase inhibitors 4SC DISCOVERY GMBH (DE) 2012-07-24 US disclosed
US-8227516-B2 Compounds as histone deacetylase inhibitors 4SC DISCOVERY GMBH (DE) 2012-07-24 US disclosed
US-8227516-B2 Compounds as histone deacetylase inhibitors 4SC DISCOVERY GMBH (DE) 2012-07-24 US disclosed
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20110092447-A1 USING INHIBITORS OF HISTONE DEACETYLASES FOR THE SUPPRESSION THERAPY OF INHERITED DISEASE PREDISPOSING CONDITIONS HENTSCH BERND 2011-04-21 US disclosed
US-20110092447-A1 USING INHIBITORS OF HISTONE DEACETYLASES FOR THE SUPPRESSION THERAPY OF INHERITED DISEASE PREDISPOSING CONDITIONS HENTSCH BERND 2011-04-21 US disclosed
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2009-04-02 US disclosed
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2009-04-02 US disclosed
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2009-04-02 US disclosed
WO-2008089439-A2 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-07-24 WO disclosed
US-20070037738-A1 Using Inhibitors of Histone Deacetylases for the Suppression Therapy of Inherited Disease Predisposing Conditions TOPOTARGET GERMANY AG (DE) 2007-02-15 US disclosed
US-20070037738-A1 Using Inhibitors of Histone Deacetylases for the Suppression Therapy of Inherited Disease Predisposing Conditions TOPOTARGET GERMANY AG (DE) 2007-02-15 US disclosed
US-20050176686-A1 Novel compounds as histone deacetylase inhibitors 4SC AG (DE) 2005-08-11 US disclosed
EP-1523470-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2005-04-20 EP disclosed
WO-2004009536-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2004-01-29 WO disclosed
WO-2004009536-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2004-01-29 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 (5 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-20050176686-A1 Novel compounds as histone deacetylase inhibitors HDAC3, HDAC1, HDAC2 HPGD 1495/4885HDAC3 1/4885HDAC1 2/4885
US-20110092447-A1 USING INHIBITORS OF HISTONE DEACETYLASES FOR THE SUPPRESSION THERAPY OF INHERITED DISEASE PREDISPOSING CONDITIONS HDAC1, HDAC10, HDAC11 HPGD 182/4885HDAC3 10/4885HDAC1 1/4885
US-20090088478-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HPGD 556/4885HDAC3 7/4885HDAC1 1/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 HPGD 141/4885HDAC3 43/4885HDAC1 32/4885
US-20070037738-A1 Using Inhibitors of Histone Deacetylases for the Suppression Therapy of Inherited Disease Predisposing Conditions HDAC1, HDAC10, HDAC11 HPGD 182/4885HDAC3 10/4885HDAC1 1/4885

“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.