SCHEMBL3220116

SCHEMBL3220116

CC(C)(O)C(=O)Nc1cccc(N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
DDX3X O00571 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.53
PTGS1 P23219 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
PDK1 Q15118 5/20 0.46

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
SCHEMBL3209453 0.88 ALDH1A1 (0.66) ALDH1A1DDX3XSMN1; SMN2PTGS1NPSR1
SCHEMBL19675849 0.86 ALDH1A1 (0.64) ALDH1A1DDX3XSMN1; SMN2PTGS1NPSR1
SCHEMBL1415228 0.82 ALDH1A1 (0.58) ALDH1A1DDX3XSMN1; SMN2PTGS1NPSR1
SCHEMBL16444667 0.81 ALDH1A1 (0.57) ALDH1A1DDX3XSMN1; SMN2PTGS1NPSR1
SCHEMBL6660855 0.81 HSD17B10 (0.62) ALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL2723870 0.81 L3MBTL1 (0.65) ALDH1A1DDX3XSMN1; SMN2PTGS1MAPT
SCHEMBL11423971 0.81 DDX3X (0.65) ALDH1A1DDX3XSMN1; SMN2PTGS1NPSR1
SCHEMBL374432 0.78 ALDH1A1 (1.00) ALDH1A1DDX3XSMN1; SMN2PTGS1MAPT
SCHEMBL29557251 0.78 ALDH1A1 (1.00) ALDH1A1DDX3XSMN1; SMN2PTGS1MAPT
SCHEMBL20124849 0.78 MAPT (0.57) ALDH1A1PTGS1MAPTL3MBTL1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 US disclosed
CN-101155791-A Thiazolidinones for use as inhibitors of polo-like kinase (plk) BAYER SCHERING PHARMA AG (DE) 2008-04-02 CN disclosed
CN-101146782-A Meta-substituted thiazolidinone compounds, process for their preparation and their use as medicaments BAYER SCHERING PHARMA AG (DE) 2008-03-19 CN disclosed
EP-1844027-A1 THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-17 EP disclosed
EP-1824834-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-29 EP disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-05 US disclosed
WO-2006082107-A1 THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-08-10 WO disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 ALDH1A1 1600/4885DDX3X 3284/4885SMN1; SMN2 2774/4885
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents PLK2, PLK4, PLK3 ALDH1A1 963/4885DDX3X 2946/4885SMN1; SMN2 4365/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ALDH1A1 997/4885DDX3X 3444/4885SMN1; SMN2 3196/4885

“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.