SCHEMBL740609

SCHEMBL740609

COc1cccc(OC)c1C1SCC(=O)N1Cc1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.68
HCRTR2 O43614 13/20 0.68
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL745146 0.81 HCRTR1 (0.66) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL15238328 0.81 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL744495 0.80 HCRTR1 (0.66) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL746982 0.80 HCRTR1 (0.66) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL15238464 0.80 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL746782 0.79 HCRTR1 (0.54) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL747775 0.79 HCRTR2 (0.73) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL743444 0.79 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL745876 0.78 HCRTR1 (0.56) HCRTR1HCRTR2MEN1KMT2ANPC1
SCHEMBL746995 0.78 HCRTR1 (0.53) HCRTR1HCRTR2MAPTMEN1KMT2A

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 2/4885MAPT 1277/4885

“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.