SCHEMBL8083047

SCHEMBL8083047

O=C(CC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1)NO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.72
▸ NPC1 O15118 6/20 0.60
▸ POLB P06746 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HDAC6 Q9UBN7 4/20 0.57
▸ HDAC3 O15379 2/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC9 Q9UKV0 2/20 0.57
▸ HDAC5 Q9UQL6 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55

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
SCHEMBL13338207 0.86 NPC1 (0.62) HDAC1NPC1POLBMEN1MAPT
SCHEMBL8312496 0.86 HDAC1 (0.61) HDAC1NPC1POLBMEN1MAPT
SCHEMBL8361569 0.84 HDAC1 (1.00) HDAC1NPC1POLBMEN1MAPT
SCHEMBL8089598 0.84 HDAC1 (0.56) HDAC1NPC1POLBMAPTHDAC6
SCHEMBL8094598 0.81 HDAC1 (0.76) HDAC1NPC1POLBMEN1MAPT
SCHEMBL29944526 0.80 NPC1 (0.77) HDAC1NPC1POLBMEN1MAPT
SCHEMBL5142389 0.80 NPC1 (0.77) HDAC1NPC1POLBMEN1MAPT
SCHEMBL13034819 0.79 NPC1 (0.70) HDAC1NPC1POLBMEN1MAPT
SCHEMBL8421283 0.78 NPC1 (0.60) HDAC1NPC1POLBMEN1MAPT
SCHEMBL29221820 0.78 NPC1 (0.60) HDAC1NPC1POLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041067-A1 Methods of Inducing Terminal Differentiation SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2012-02-16 — — US disclosed
US-8101663-B2 Polymorphs of suberoylanilide hydroxamic acid MERCK HDAC RESEARCH, LLC (US) 2012-01-24 — — US disclosed
US-8067472-B2 Methods of treating Hodgkin's and non-Hodgkin's lymphoma MERCK HDAC RESEARCH, LLC (US) 2011-11-29 — — US disclosed
EP-2269609-A2 Treatment of neurodegenerative diseases and cancer of the brain with SAHA Sloan-Kettering Institute for Cancer Research (US) 2011-01-05 — — EP disclosed
US-7851509-B2 Polymorphs of suberoylanilide hydroxamic acid MERCK HDAC RESEARCH, LLC (US) 2010-12-14 — — US disclosed
US-7847122-B2 Polymorphs of suberoylanilide hydroxamic acid MERCK HDAC RESEARCH, LLC (US) 2010-12-07 — — US disclosed
US-20100273732-A1 COMBINATION METHODS OF TREATING CANCER BACOPOULOS NICHOLAS G 2010-10-28 — — US disclosed
EP-2226072-A1 Combinations of suberoylanilide hydroxamic acid and antimetbolic agents for treating cancer Aton Pharma, Inc. (US) 2010-09-08 — — EP disclosed
US-20100210729-A1 Methods of inducing terminal differentiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-19 — — US disclosed
US-20100168242-A1 Polymorphs of suberoylanilide hydroxamic acid NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-01 — — US disclosed
US-20080114069-A1 Methods of inducing terminal differentiation RICHON VICTORIA M 2008-05-15 — — US disclosed
US-20070190022-A1 Combination methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-16 — — US disclosed
US-20070060614-A1 Methods of treating cancer with hdac inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-15 — — US disclosed
US-20060167103-A1 Methods of treating cancer with HDAC inhibitors ATON PHARMA, INC. (US) 2006-07-27 — — US disclosed
WO-2005023179-A2 COMBINATION METHODS OF TREATING CANCER ATON PHARMA, INC. (US) 2005-03-17 — — WO 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
WO-2003088954-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-10-30 — — WO disclosed
WO-2003075839-A2 METHODS OF INDUCING TERMINAL DIFFERENTIATION ATON PHARMA, INC. (US) 2003-09-18 — — WO disclosed
WO-2003032921-A2 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-04-24 — — 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 (10 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-20060167103-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC1, HDAC4 HDAC1 2/4885NPC1 1123/4885POLB 1223/4885
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 1/4885NPC1 351/4885POLB 1959/4885
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 HDAC1 3/4885NPC1 1351/4885POLB 3321/4885
US-20070060614-A1 Methods of treating cancer with hdac inhibitors HDAC5, BCL6, HDAC9 HDAC1 5/4885NPC1 1267/4885POLB 2945/4885
US-20100273732-A1 COMBINATION METHODS OF TREATING CANCER HDAC5, HDAC1, HDAC4 HDAC1 2/4885NPC1 1205/4885POLB 1167/4885
US-20080114069-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885NPC1 2449/4885POLB 991/4885
US-20070190022-A1 Combination methods of treating cancer HDAC5, HDAC1, HDAC4 HDAC1 2/4885NPC1 1205/4885POLB 1167/4885
US-20100210729-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885NPC1 2449/4885POLB 991/4885
US-20100168242-A1 Polymorphs of suberoylanilide hydroxamic acid HDAC1, HDAC4, HDAC5 HDAC1 1/4885NPC1 1777/4885POLB 860/4885
US-20120041067-A1 Methods of Inducing Terminal Differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885NPC1 2449/4885POLB 991/4885

“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.

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