SCHEMBL744381

SCHEMBL744381

COc1cccc(OC)c1C1SCC(=O)N1Cc1cc2ccccc2n1C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.66
HCRTR2 O43614 15/20 0.66
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 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
SCHEMBL744913 0.81 HCRTR1 (0.67) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL746995 0.81 HCRTR1 (0.53) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL743635 0.81 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL747775 0.79 HCRTR2 (0.73) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL743444 0.79 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2AHTR7
SCHEMBL4538635 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL744021 0.79 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL745949 0.79 HCRTR2 (0.66) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL746982 0.79 HCRTR1 (0.66) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL745369 0.78 HCRTR1 (0.63) HCRTR1HCRTR2MEN1KMT2A

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 2/4885MEN1 1209/4885

“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.