SCHEMBL5128433

SCHEMBL5128433

O=C(C=Cc1ccc(CNCCc2c[nH]c3ccc(F)cc23)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 1.00
HDAC3 O15379 8/20 1.00
HDAC6 Q9UBN7 8/20 1.00
HDAC4 P56524 7/20 1.00
HDAC7 Q8WUI4 7/20 1.00
HDAC2 Q92769 7/20 1.00
HDAC10 Q969S8 7/20 1.00
HDAC11 Q96DB2 7/20 1.00
HDAC8 Q9BY41 7/20 1.00
HDAC9 Q9UKV0 7/20 1.00
HDAC5 Q9UQL6 7/20 1.00
KCNH2 Q12809 1/20 0.74
SIRT2 Q8IXJ6 2/20 0.58
MPO P05164 3/20 0.55
SLC6A4 P31645 2/20 0.55
MAOB P27338 1/20 0.55
HTR2A P28223 1/20 0.55
SIRT1 Q96EB6 1/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53

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
SCHEMBL5128429 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL13949807 0.89 HDAC1 (0.80) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL309994 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL309995 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL5129279 0.85 HDAC3 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL5129276 0.85 HDAC3 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL8245439 0.82 HDAC1 (0.79) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL13949796 0.82 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL13949823 0.81 HDAC1 (0.77) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL8241707 0.81 HDAC1 (0.86) HDAC1HDAC3HDAC6HDAC4HDAC7

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 US disclosed
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 EP disclosed
EP-1318980-B1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-10-31 EP disclosed
US-20060189674-A1 Deacetylase inhibitors SECURA BIO, INC. 2006-08-24 US disclosed
US-7067551-B2 Deacetylase inhibitors NOVARTIS AG (CH) 2006-06-27 US disclosed
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability SECURA BIO, INC. 2005-04-21 US disclosed
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 disclosed
US-20040024067-A1 Deacetylase inhibitors ATHYRIUM OPPORTUNITIES III ACQUISITION LP 2004-02-05 US disclosed
EP-1318980-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2003-06-18 EP 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 (5 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 16/4885HDAC6 45/4885
US-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC6 3/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC6 3/4885
US-20060189674-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC6 3/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC6 3/4885

“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.