SCHEMBL747929

SCHEMBL747929

COc1cccc(OC)c1C1SCC(=O)N1Cc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.57
HCRTR2 O43614 6/20 0.57
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 1/20 0.43
DRD4 P21917 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.41
CYP2D6 P10635 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
SCHEMBL743444 0.83 HCRTR1 (0.64) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL744021 0.83 HCRTR1 (0.64) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL745877 0.81 DRD2 (0.46) HCRTR1HCRTR2DRD2DRD3KMT2A
SCHEMBL747775 0.81 HCRTR2 (0.73) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL744046 0.80 HCRTR1 (0.60) HCRTR1HCRTR2KMT2AMEN1LMNA
SCHEMBL747133 0.80 HCRTR1 (0.55) HCRTR1HCRTR2DRD2DRD3KMT2A
SCHEMBL745499 0.79 HCRTR2 (0.62) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL745825 0.79 HCRTR1 (0.62) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL743547 0.78 HCRTR1 (0.73) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL747861 0.78 HCRTR1 (0.58) HCRTR1HCRTR2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US claimed
CN-102413828-A Thiazolidin-4-one and [1,3] -thiazinan-4-one compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN claimed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP claimed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO claimed
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
CN-102413828-A Thiazolidin-4-one and [1,3] -thiazinan-4-one compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN disclosed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R HCRTR1 1/4885HCRTR2 2/4885DRD2 490/4885

“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.