SCHEMBL8083036

SCHEMBL8083036

O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ncccc2c1)NO

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.79
▸ HDAC8 Q9BY41 5/20 0.54
▸ HDAC4 P56524 4/20 0.52
▸ MEF2D Q14814 1/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ NCOR2 Q9Y618 2/20 0.51
▸ PABPC1 P11940 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MEN1 O00255 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
SCHEMBL13159659 0.89 HDAC1 (1.00) HDAC1HDAC8HDAC4MEF2DHDAC6
SCHEMBL8344769 0.89 HDAC1 (1.00) HDAC1HDAC8HDAC4MEF2DHDAC6
SCHEMBL10420281 0.89 HDAC1 (0.73) HDAC1HDAC8
SCHEMBL13159719 0.85 HDAC1 (0.87) HDAC1HDAC8HDAC4MEF2DHDAC6
SCHEMBL8094598 0.84 HDAC1 (0.76) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8420871 0.83 HDAC1 (0.65) HDAC1HDAC4MEF2DPABPC1MEN1
SCHEMBL8374731 0.82 HDAC1 (0.62) HDAC1PABPC1MEN1NPC1POLB
SCHEMBL8094435 0.82 HDAC8 (0.71) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8083026 0.81 HDAC1 (0.79) HDAC1HDAC8HDAC4MEF2DHDAC6
SCHEMBL8312496 0.80 HDAC1 (0.61) HDAC1HDAC8HDAC4MEF2DHDAC6

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 26 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
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
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-7732490-B2 Methods of treating cancer MERCK HDAC RESEARCH, LLC (US) 2010-06-08 — — US disclosed
US-7652069-B2 Polymorphs of suberoylanilide hydroxamic acid MERCK HDAC RESEARCH, LLC (US) 2010-01-26 — — US disclosed
US-20080194692-A1 Polymorphs of suberoylanilide hydroxamic acid NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-14 — — US disclosed
US-7399787-B2 Methods of treating cancer with HDAC inhibitors MERCK HDAC RESEARCH, LLC (US) 2008-07-15 — — US disclosed
US-20080119562-A1 Methods of Inducing Terminal Differentiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-22 — — US disclosed
US-7375137-B2 Methods of treating cancer with HDAC inhibitors MERCK HDAC RESEARCH, LLC (US) 2008-05-20 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 2/4885HDAC8 10/4885HDAC4 3/4885
US-20080119562-A1 Methods of Inducing Terminal Differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC8 9/4885HDAC4 5/4885
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 1/4885HDAC8 8/4885HDAC4 5/4885
US-20080194692-A1 Polymorphs of suberoylanilide hydroxamic acid HDAC1, HDAC4, HDAC5 HDAC1 1/4885HDAC8 11/4885HDAC4 2/4885
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 HDAC1 3/4885HDAC8 9/4885HDAC4 4/4885
US-20070060614-A1 Methods of treating cancer with hdac inhibitors HDAC5, BCL6, HDAC9 HDAC1 5/4885HDAC8 14/4885HDAC4 4/4885
US-20100273732-A1 COMBINATION METHODS OF TREATING CANCER HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC8 10/4885HDAC4 3/4885
US-20080114069-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC8 9/4885HDAC4 5/4885
US-20070190022-A1 Combination methods of treating cancer HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC8 10/4885HDAC4 3/4885
US-20100210729-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC8 9/4885HDAC4 5/4885
US-20100168242-A1 Polymorphs of suberoylanilide hydroxamic acid HDAC1, HDAC4, HDAC5 HDAC1 1/4885HDAC8 11/4885HDAC4 2/4885
US-20120041067-A1 Methods of Inducing Terminal Differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC8 9/4885HDAC4 5/4885

“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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