SCHEMBL3204325

SCHEMBL3204325

COC(=O)CCCCC[S+]([O-])c1ccc(N(C)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
MDM2 Q00987 2/20 0.36
MAPT P10636 1/20 0.36
NR1D1 P20393 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCL2A1 Q16548 2/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL29131295 0.86 MAPT (0.45) MAPTALDH1A1CYP11B1CYP11B2
SCHEMBL3196799 0.86 MAPT (0.45) MAPTALDH1A1CYP11B1CYP11B2
SCHEMBL3201821 0.83 MAPT (0.42) HDAC1MAPT
SCHEMBL3186992 0.81 HDAC1 (0.42) HDAC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3196504 0.78 HDAC1 (0.56) HDAC1MAPTHTTALDH1A1RAB9A
SCHEMBL28632633 0.76 MAPT (0.42) MAPTHTTALDH1A1CYP11B1CYP11B2
SCHEMBL27540288 0.75 P2RX7 (0.32) HDAC1MAPT
SCHEMBL3195586 0.74 CYP4F2 (0.41) MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL20545052 0.74 CA12 (0.40) HDAC1MAPTHTTALDH1A1CYP11B1
SCHEMBL20545009 0.74 LMNA (0.47) MAPTALDH1A1

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 HDAC1 1/4885MDM2 4703/4885MAPT 4790/4885

“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.