SCHEMBL8094598

SCHEMBL8094598

O=C(C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ncccc2c1)NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.76
▸ PABPC1 P11940 1/20 0.63
▸ NPC1 O15118 6/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47

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
SCHEMBL13159656 0.87 HDAC1 (1.00) HDAC1PABPC1NPC1RAB9AALDH1A1
SCHEMBL13928108 0.87 HDAC1 (1.00) HDAC1PABPC1NPC1RAB9AALDH1A1
SCHEMBL8312496 0.84 HDAC1 (0.61) HDAC1PABPC1NPC1RAB9AALDH1A1
SCHEMBL8083036 0.84 HDAC1 (0.79) HDAC1PABPC1NPC1POLBHDAC6
SCHEMBL3427205 0.83 HDAC1 (0.84) HDAC1PABPC1NPC1RAB9AALDH1A1
SCHEMBL8083047 0.81 HDAC1 (0.72) HDAC1PABPC1NPC1RAB9AALDH1A1
SCHEMBL8090912 0.80 HDAC1 (0.66) HDAC1HDAC6MEN1KMT2AHDAC3
SCHEMBL13175274 0.80 HDAC1 (0.66) HDAC1HDAC6MEN1KMT2AHDAC3
SCHEMBL8421533 0.80 PABPC1 (0.63) HDAC1PABPC1NPC1RAB9AALDH1A1
SCHEMBL8091080 0.79 HDAC1 (0.75) HDAC1NPC1RAB9AALDH1A1SMN1; SMN2

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 27 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-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-2003075839-A2 METHODS OF INDUCING TERMINAL DIFFERENTIATION ATON PHARMA, INC. (US) 2003-09-18 — — 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 2/4885PABPC1 2559/4885NPC1 1123/4885
US-20080119562-A1 Methods of Inducing Terminal Differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885PABPC1 2595/4885NPC1 2449/4885
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 1/4885PABPC1 2712/4885NPC1 351/4885
US-20040132825-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 HDAC1 3/4885PABPC1 4409/4885NPC1 1351/4885
US-20070060614-A1 Methods of treating cancer with hdac inhibitors HDAC5, BCL6, HDAC9 HDAC1 5/4885PABPC1 2948/4885NPC1 1267/4885
US-20100273732-A1 COMBINATION METHODS OF TREATING CANCER HDAC5, HDAC1, HDAC4 HDAC1 2/4885PABPC1 2306/4885NPC1 1205/4885
US-20080114069-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885PABPC1 2595/4885NPC1 2449/4885
US-20070190022-A1 Combination methods of treating cancer HDAC5, HDAC1, HDAC4 HDAC1 2/4885PABPC1 2306/4885NPC1 1205/4885
US-20100210729-A1 Methods of inducing terminal differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885PABPC1 2595/4885NPC1 2449/4885
US-20100168242-A1 Polymorphs of suberoylanilide hydroxamic acid HDAC1, HDAC4, HDAC5 HDAC1 1/4885PABPC1 3027/4885NPC1 1777/4885
US-20120041067-A1 Methods of Inducing Terminal Differentiation HDAC3, HDAC1, HDAC5 HDAC1 2/4885PABPC1 2595/4885NPC1 2449/4885

“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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