SCHEMBL675747

SCHEMBL675747

O=C(C=Cc1cccc(C(=O)NO)c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
HDAC3 O15379 11/20 1.00
HDAC2 Q92769 13/20 0.74
HDAC4 P56524 12/20 0.74
HDAC8 Q9BY41 11/20 0.74
HDAC6 Q9UBN7 11/20 0.74
HDAC7 Q8WUI4 9/20 0.74
HDAC9 Q9UKV0 9/20 0.74
HDAC5 Q9UQL6 9/20 0.74
HDAC10 Q969S8 8/20 0.68
HDAC11 Q96DB2 8/20 0.68
MEF2D Q14814 2/20 0.58
KDM4E B2RXH2 1/20 0.51
EGLN2 Q96KS0 1/20 0.51
BRD4 O60885 1/20 0.51
ESR1 P03372 1/20 0.51
PTGS1 P23219 1/20 0.51
PDE4A P27815 1/20 0.51
PIK3CA P42336 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL29392550 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL29354058 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL675746 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL1236293 0.89 HDAC3 (0.80) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL11974531 0.89 HDAC3 (0.80) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL1236290 0.89 HDAC3 (0.80) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL392628 0.87 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL11984101 0.86 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL25049810 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC8
SCHEMBL11886047 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000031-B2 Thioxanthone-based autophagy inhibitor therapies to treat cancer SPECTRUM PHARMACEUTICALS, INC. (US) 2015-04-07 US claimed
US-8524762-B2 Thioxanthone-based autophagy inhibitor therapies to treat cancer SPECTRUM PHARMACEUTICALS, INC. (US) 2013-09-03 US claimed
EP-2544673-A1 THIOXANTHONE-BASED AUTOPHAGY INHIBITOR THERAPIES TO TREAT CANCER Spectrum Pharmaceuticals, Inc. (US) 2013-01-16 EP claimed
US-20110275696-A1 Thioxanthone-Based Autophagy Inhibitor Therapies to Treat Cancer SPECTRUM PHARMACEUTICALS, INC. 2011-11-10 US claimed
WO-2011112623-A1 THIOXANTHONE-BASED AUTOPHAGY INHIBITOR THERAPIES TO TREAT CANCER SPECTRUM PHARMACEUTICALS, INC. (US) 2011-09-15 WO claimed
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US claimed
EP-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP claimed
EP-1414428-B1 HISTONE DEACETYLASE ENZYME-INHIBITING DERIVATIVES OF HYDROXAMIC ACID AS NEW CYTOKINE SYNTHESIS-INHIBITING ANTI-INFLAMMATORY DRUGS ITALFARMACO SPA (IT) 2009-07-01 EP claimed
WO-2008090534-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF EXCESSIVE WEIGHT GAIN, REDUCTION OF INAPPROPRIATE EATING BEHAVIOURS AND INHIBITION OF BINGE EATING FOR THE TREATMENT OF OBESITY BERAND LIMITED (IE) 2008-07-31 WO claimed
WO-2007049262-A1 Methods and compositions for the promotion of neuronal growth and the treatment of asociality and affective disorders BERAND LIMITED (IE) 2007-05-03 WO claimed
US-20040157930-A1 Histone deacetylase enzyme-inhibiting derivatives of hydroxamic acid as new cytokine synthesis-inhibiting anti-inflammatory drugs ITALFARMACO S.P.A. (IT) 2004-08-12 US claimed
EP-1414428-A1 HISTONE DEACETYLASE ENZYME-INHIBITING DERIVATIVES OF HYDROXAMIC ACID AS NEW CYTOKINE SYNTHESIS-INHIBITING ANTI-INFLAMMATORY DRUGS ITALFARMACO S.p.A. (IT) 2004-05-06 EP claimed
WO-2003013493-A1 HISTONE DEACETYLASE ENZYME-INHIBITING DERIVATIVES OF HYDROXAMIC ACID AS NEW CYTOKINE SYNTHESIS-INHIBITING ANTI-INFLAMMATORY DRUGS ITALFARMACO S.P.A. (IT) 2003-02-20 WO claimed
US-11357748-B2 Methods for treating mendelian disorders of the epigenetic machinery THE JOHNS HOPKINS UNIVERSITY (US) 2022-06-14 US disclosed
US-11332716-B2 Methods and compositions for producing pancreatic beta cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-17 US disclosed
EP-3024926-B1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2021-03-03 EP disclosed
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-08 US disclosed
US-20040127523-A1 safe, daily dosing regimen of histone deacetylase (HDAC) inhibitors having favorable pharmacokinetic profiles such as high bioavailability and surprisingly give rise to high blood levels of the active compounds over an extended period of time NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-01 US disclosed
EP-1414428-A1 HISTONE DEACETYLASE ENZYME-INHIBITING DERIVATIVES OF HYDROXAMIC ACID AS NEW CYTOKINE SYNTHESIS-INHIBITING ANTI-INFLAMMATORY DRUGS ITALFARMACO S.p.A. (IT) 2004-05-06 EP disclosed
WO-2003013493-A1 HISTONE DEACETYLASE ENZYME-INHIBITING DERIVATIVES OF HYDROXAMIC ACID AS NEW CYTOKINE SYNTHESIS-INHIBITING ANTI-INFLAMMATORY DRUGS ITALFARMACO S.P.A. (IT) 2003-02-20 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 (6 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-20040127523-A1 safe, daily dosing regimen of histone deacetylase (HDAC) inhibitors having favorable pharmacokinetic profiles such as high bioavailability and surprisingly give rise to high blood levels of the active compounds over an extended period of time HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC3 6/4885HDAC2 4/4885
US-20040157930-A1 Histone deacetylase enzyme-inhibiting derivatives of hydroxamic acid as new cytokine synthesis-inhibiting anti-inflammatory drugs HDAC1, HDAC2, HDAC5 HDAC1 1/4885HDAC3 6/4885HDAC2 2/4885
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 HDAC1 3/4885HDAC3 8/4885HDAC2 5/4885
US-11332716-B2 Methods and compositions for producing pancreatic beta cells IAPP, ALPG, AMY2A HDAC1 4012/4885HDAC3 3990/4885HDAC2 4253/4885
US-20100056522-A1 INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT HDAC1, HDAC9, HDAC5 HDAC1 1/4885HDAC3 9/4885HDAC2 8/4885
US-20110275696-A1 Thioxanthone-Based Autophagy Inhibitor Therapies to Treat Cancer ATG7, BECN1, SQSTM1 HDAC1 464/4885HDAC3 418/4885HDAC2 929/4885

“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.