SCHEMBL310002

SCHEMBL310002

O=C(C=Cc1ccc(CNCCc2coc3ccccc23)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC3 O15379 15/20 1.00
HDAC2 Q92769 15/20 1.00
HDAC8 Q9BY41 15/20 1.00
HDAC4 P56524 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC6 Q9UBN7 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
HDAC10 Q969S8 13/20 1.00
HDAC11 Q96DB2 13/20 1.00
KCNH2 Q12809 3/20 0.64
TET3 O43151 1/20 0.57
BRD4 O60885 1/20 0.57
FOXO1 Q12778 1/20 0.57
TET2 Q6N021 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
TET1 Q8NFU7 1/20 0.57
NCOR2 Q9Y618 1/20 0.57

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
SCHEMBL310001 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL16806728 0.86 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL7008414 0.80 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL309994 0.78 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL309995 0.78 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL18085938 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL16806774 0.77 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL16806952 0.76 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8236096 0.76 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL16806967 0.76 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 US claimed
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 EP claimed
EP-1318980-B1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-10-31 EP claimed
US-20060189674-A1 Deacetylase inhibitors SECURA BIO, INC. 2006-08-24 US claimed
US-20050227300-A1 Use of alpha-tubulin acetylation levels as a biomarker for protein deacetylase inhibitors ATADJA PETER W 2005-10-13 US claimed
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability SECURA BIO, INC. 2005-04-21 US 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
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
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
US-8883842-B2 Use of HDAC inhibitors for the treatment of myeloma NOVARTIS AG (CH) 2014-11-11 US disclosed
US-20120029047-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF BONE DESTRUCTION SECURA BIO, INC. 2012-02-02 US disclosed
US-8093220-B2 Combination of an HDAC inhibitor and an antimetabolite NOVARTIS AG (CH) 2012-01-10 US disclosed
US-20110288144-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF MELANOMA NOVARTIS AG (CH) 2011-11-24 US disclosed
WO-2003048774-A1 USE OF ALPHA-TUBULIN ACETYLATION LEVELS AS A BIOMARKER FOR PROTEIN DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2003-06-12 WO disclosed
US-6552065-B2 Antiproliferative agents NOVARTIS AG (CH) 2003-04-22 US disclosed
US-20030018062-A1 Deacetylase inhibitors SECURA BIO, INC. 2003-01-23 US disclosed
WO-2002022577-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2002-03-21 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 (7 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-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability TP53, CDKN1A, HDAC1 HDAC1 3/4885HDAC3 16/4885HDAC2 18/4885
US-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC2 9/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC2 9/4885
US-20120029047-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF BONE DESTRUCTION HDAC5, HDAC4, HDAC1 HDAC1 3/4885HDAC3 8/4885HDAC2 6/4885
US-20110288144-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF MELANOMA HDAC5, HDAC1, HDAC9 HDAC1 2/4885HDAC3 6/4885HDAC2 5/4885
US-20060189674-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC2 9/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC2 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.