SCHEMBL747922

SCHEMBL747922

CCOc1ccc(CN2C(=O)C(C)SC2c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
GRM2 Q14416 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL745152 0.86 MEN1 (0.61) MEN1KMT2AATMMAPTEHMT2
SCHEMBL747506 0.85 HCRTR2 (0.50) MAPTGAATHRBTP53GRM2
SCHEMBL744028 0.83 HCRTR2 (0.51) MAPTGRM2HCRTR1HCRTR2
SCHEMBL746545 0.81 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL747452 0.80 KMT2A (0.50) MEN1KMT2AATMMAPTEHMT2
SCHEMBL744392 0.78 HCRTR2 (0.50) MEN1KMT2AATMMAPTGAA
SCHEMBL744671 0.75 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL26981208 0.75 MEN1 (0.49) MEN1KMT2AATMMAPTEHMT2
SCHEMBL1279111 0.74 MEN1 (0.43) MEN1KMT2AMAPTGAATHRB
SCHEMBL744696 0.73 HCRTR2 (0.48) MEN1KMT2AMAPTGAAGRM2

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 6 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
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
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 MEN1 1209/4885KMT2A 2161/4885ATM 4092/4885

“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.