SCHEMBL8090513

SCHEMBL8090513

O=C(CCCCCCC(=O)Nc1ccccn1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC4 P56524 9/20 1.00
HDAC5 Q9UQL6 9/20 1.00
HDAC3 O15379 8/20 1.00
HDAC7 Q8WUI4 8/20 1.00
HDAC2 Q92769 8/20 1.00
HDAC11 Q96DB2 8/20 1.00
HDAC8 Q9BY41 8/20 1.00
HDAC9 Q9UKV0 8/20 1.00
HDAC10 Q969S8 7/20 1.00
ALDH1A1 P00352 3/20 0.67
GAA P10253 2/20 0.67
KDM4E B2RXH2 3/20 0.59
BRD4 O60885 1/20 0.59
NCOR1 O75376 1/20 0.59
NR1I2 O75469 1/20 0.59
EGFR P00533 1/20 0.59
CYP3A4 P08684 1/20 0.59
LTA4H P09960 1/20 0.59

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
SCHEMBL1064977 0.88 HDAC3 (0.78) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL1066988 0.88 HDAC3 (0.81) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL1065479 0.88 HDAC3 (0.78) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL14645344 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL18248585 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL23023795 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL30444964 0.86 HDAC3 (0.76) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL5577979 0.86 HDAC4 (1.00) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL5577986 0.86 HDAC4 (1.00) HDAC1HDAC6HDAC4HDAC5HDAC3
SCHEMBL15714332 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC4HDAC5HDAC3

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 28 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-1443928-B1 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN KETTERING INST CANCER (US) 2011-07-27 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
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-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
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 (11 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 2/4885HDAC6 9/4885HDAC4 3/4885
US-20080119562-A1 Methods of Inducing Terminal Differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC6 12/4885HDAC4 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 1/4885HDAC6 11/4885HDAC4 5/4885
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 HDAC1 3/4885HDAC6 11/4885HDAC4 4/4885
US-20070060614-A1 Methods of treating cancer with hdac inhibitors HDAC5, BCL6, HDAC9 HDAC1 5/4885HDAC6 12/4885HDAC4 4/4885
US-20100273732-A1 COMBINATION METHODS OF TREATING CANCER HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC6 6/4885HDAC4 3/4885
US-20080114069-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC6 12/4885HDAC4 5/4885
US-20070190022-A1 Combination methods of treating cancer HDAC5, HDAC1, HDAC4 HDAC1 2/4885HDAC6 6/4885HDAC4 3/4885
US-20100210729-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC6 12/4885HDAC4 5/4885
US-20100168242-A1 Polymorphs of suberoylanilide hydroxamic acid HDAC1, HDAC4, HDAC5 HDAC1 1/4885HDAC6 7/4885HDAC4 2/4885
US-20120041067-A1 Methods of Inducing Terminal Differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC6 12/4885HDAC4 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.