SCHEMBL3867385

SCHEMBL3867385

CC(C)(C)C(=O)Nc1cc(N)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
FADS1 O60427 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3079878 0.87 L3MBTL1 (0.59) L3MBTL1GAANPSR1CA12CA1
SCHEMBL14254938 0.87 L3MBTL1 (0.59) L3MBTL1GAANPSR1MAPTHTT
SCHEMBL3786382 0.87 L3MBTL1 (0.59) L3MBTL1GAANPSR1CA12CA1
SCHEMBL7074333 0.83 MEN1 (0.43) L3MBTL1NPSR1CA12CA1CA2
SCHEMBL14667345 0.81 L3MBTL1 (0.52) L3MBTL1GAANPSR1CA12CA1
SCHEMBL3122646 0.80 ALDH1A1 (0.55) GAANPSR1MAPTHTTALDH1A1
SCHEMBL31254121 0.79 MAPKAPK2 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL6810856 0.79 MAPKAPK2 (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL8952429 0.78 MEN1 (0.47) NPSR1MAPTHTTALDH1A1MEN1
SCHEMBL23441 0.77 L3MBTL1 (0.73) L3MBTL1GAANPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1844027-A1 THIAZOLIDINONES FOR USE AS INHIBITORS OF POLO-LIKE KINASE (PLK) Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-17 EP disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
CN-1902185-A Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-01-24 CN 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
EP-1678153-A1 THIOZOLIDINONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Schering Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042505-A1 THIOZOLIDINONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 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 (2 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK L3MBTL1 689/4885GAA 1502/4885NPSR1 4634/4885
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents PLK2, PLK4, PLK3 L3MBTL1 4002/4885GAA 366/4885NPSR1 4285/4885

“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.