SCHEMBL3209879

SCHEMBL3209879

O=C(CCCCCSc1ccc(Cl)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
HDAC2 Q92769 10/20 1.00
HDAC3 O15379 9/20 1.00
HDAC8 Q9BY41 9/20 1.00
HDAC6 Q9UBN7 9/20 1.00
HDAC5 Q9UQL6 9/20 1.00
HDAC4 P56524 8/20 1.00
HDAC7 Q8WUI4 8/20 1.00
HDAC10 Q969S8 8/20 1.00
HDAC11 Q96DB2 8/20 1.00
HDAC9 Q9UKV0 8/20 1.00
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
TEAD1 P28347 1/20 0.53
YAP1 P46937 1/20 0.53
TEAD4 Q15561 1/20 0.53
TEAD2 Q15562 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.49

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
SCHEMBL6388156 0.96 HDAC1 (0.91) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6390497 0.94 HDAC1 (0.89) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL11620143 0.94 HDAC3 (0.88) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL20545519 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL20545011 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL20545504 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7317658 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL20590122 0.83 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL17045897 0.82 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL28548058 0.82 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6

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-7683185-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-03-23 US claimed
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo UCL BIOMEDICA PLC (GB) 2006-10-19 US claimed
EP-1565432-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-08-24 EP claimed
WO-2004046094-A9 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-06-23 WO claimed
WO-2004046094-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-06-03 WO claimed
US-20200207691-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH - OF T 2020-07-02 US disclosed
US-10626071-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-04-21 US disclosed
US-7683185-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-03-23 US disclosed
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo UCL BIOMEDICA PLC (GB) 2006-10-19 US disclosed
EP-1565432-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-08-24 EP disclosed
WO-2004046094-A9 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-06-23 WO disclosed
WO-2004046094-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-06-03 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 (3 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-10626071-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 HDAC1 1/4885HDAC2 6/4885HDAC3 9/4885
US-20200207691-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 HDAC1 1/4885HDAC2 6/4885HDAC3 9/4885
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 5/4885HDAC3 7/4885

“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.