SCHEMBL3204591

SCHEMBL3204591

COC(=O)CCCCCSc1ccc(N(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.51
KMT2A Q03164 2/20 0.49
HDAC1 Q13547 10/20 0.47
HDAC2 Q92769 9/20 0.46
HDAC3 O15379 8/20 0.46
HDAC4 P56524 8/20 0.46
HDAC7 Q8WUI4 8/20 0.46
HDAC10 Q969S8 8/20 0.46
HDAC11 Q96DB2 8/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC6 Q9UBN7 8/20 0.46
HDAC9 Q9UKV0 8/20 0.46
HDAC5 Q9UQL6 8/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL20545013 0.84 HDAC1 (0.49) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL20545015 0.84 HDAC1 (0.49) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL3200301 0.83 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17262832 0.82 HDAC1 (0.48) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL12685624 0.82 MTNR1A (0.56) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL20545473 0.82 NPC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20545182 0.82 NPC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3195630 0.82 HDAC1 (0.48) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL3195091 0.82 HDAC1 (0.67) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL3195872 0.82 HDAC1 (0.51) KMT2AHDAC1HDAC2HDAC3HDAC4

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 10 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-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 (1 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-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo HDAC1, HDAC7, HDAC5 APP 4820/4885KMT2A 38/4885HDAC1 1/4885

“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.