SCHEMBL309995

SCHEMBL309995

O=C(C=Cc1ccc(CNCCc2c[nH]c3ccccc23)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC3 O15379 15/20 1.00
HDAC4 P56524 15/20 1.00
HDAC7 Q8WUI4 15/20 1.00
HDAC2 Q92769 15/20 1.00
HDAC10 Q969S8 15/20 1.00
HDAC11 Q96DB2 15/20 1.00
HDAC8 Q9BY41 15/20 1.00
HDAC6 Q9UBN7 15/20 1.00
HDAC9 Q9UKV0 15/20 1.00
HDAC5 Q9UQL6 15/20 1.00
KCNH2 Q12809 2/20 1.00
TET3 O43151 1/20 0.65
BRD4 O60885 1/20 0.65
FOXO1 Q12778 1/20 0.65
TET2 Q6N021 1/20 0.65
PIK3C3 Q8NEB9 1/20 0.65
TET1 Q8NFU7 1/20 0.65
NCOR2 Q9Y618 1/20 0.65

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
SCHEMBL309994 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8242401 0.94 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8245040 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13949983 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29855629 0.87 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL211880 0.87 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL211881 0.87 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13949807 0.86 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13949916 0.86 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806648 0.86 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215813-A1 HISTONE DEACETYLASE INHIBITORS AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 2009-08-27 US claimed
US-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 US claimed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 US claimed
EP-1915141-A1 METHOD OF USE OF DEACETYLASE INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 EP claimed
US-20070258972-A1 Combination of a Histone Deacetylase Inhibitor with a Death Receptor Ligand ATADJA PETER W 2007-11-08 US claimed
EP-1318980-B1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-10-31 EP claimed
US-20070191338-A1 Combinations comprising staurosporines ATADJA PETER W 2007-08-16 US claimed
US-20070123580-A1 Combination of histone deacetylase inhibitors with chemotherapeutic agents ATADJA PETER W 2007-05-31 US claimed
WO-2007021682-A1 METHOD OF USE OF DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-02-22 WO claimed
US-6833384-B2 E. g., N-Hydroxy-3-(4-(((2-(1H-indol-3-yl)-ethyl)amino)-amino)methyl)-phenyl)-2E-2 -propenamide; histone deacetylase inhibitors; antiproliferative agents; antitumor agents; anticarcinogenic agents NOVARTIS AG (CH) 2004-12-21 US claimed
WO-2004103358-A2 COMBINATION OF HISTONE DEACETYLASE INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS NOVARTIS AG (CH) 2004-12-02 WO claimed
EP-1456664-A1 USE OF ALPHA-TUBULIN ACETYLATION LEVELS AS A BIOMARKER FOR PROTEIN DEACETYLASE INHIBITORS Novartis AG (CH) 2004-09-15 EP claimed
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 EP claimed
US-20040024067-A1 Deacetylase inhibitors ATHYRIUM OPPORTUNITIES III ACQUISITION LP 2004-02-05 US claimed
EP-1318980-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2003-06-18 EP claimed
WO-2003048774-A1 USE OF ALPHA-TUBULIN ACETYLATION LEVELS AS A BIOMARKER FOR PROTEIN DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2003-06-12 WO claimed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 WO claimed
US-20030018062-A1 Deacetylase inhibitors SECURA BIO, INC. 2003-01-23 US claimed
WO-2002022577-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2002-03-21 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-20070191338-A1 Combinations comprising staurosporines MCL1, FLT3, FLI1 HDAC1 10/4885HDAC3 24/4885HDAC4 42/4885
US-20070258972-A1 Combination of a Histone Deacetylase Inhibitor with a Death Receptor Ligand HDAC5, HDAC1, HDAC9 HDAC1 2/4885HDAC3 5/4885HDAC4 9/4885
US-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885
US-20090215813-A1 HISTONE DEACETYLASE INHIBITORS AS IMMUNOSUPPRESSANTS HDAC1, HDAC2, HDAC5 HDAC1 1/4885HDAC3 9/4885HDAC4 8/4885
US-20090012066-A1 Method of Use of Deacetylase Inhibitors HDAC3, HDAC5, HDAC1 HDAC1 3/4885HDAC3 1/4885HDAC4 5/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885
US-20070123580-A1 Combination of histone deacetylase inhibitors with chemotherapeutic agents HDAC1, HDAC9, HDAC5 HDAC1 1/4885HDAC3 5/4885HDAC4 9/4885

“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.