SCHEMBL746959

SCHEMBL746959

COc1cccc(OC)c1C1SC(C)C(=O)N1Cc1nc2ccccc2n1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
DRD2 P14416 1/20 0.48
GRM2 Q14416 1/20 0.48
HCRTR1 O43613 7/20 0.45
HCRTR2 O43614 7/20 0.45
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.40
GFER P55789 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 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
SCHEMBL746995 0.82 HCRTR1 (0.53) RAB9ADRD2GRM2HCRTR1HCRTR2
SCHEMBL743635 0.81 HCRTR1 (0.67) HCRTR1HCRTR2MAPT
SCHEMBL746459 0.79 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL747513 0.78 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL745146 0.78 HCRTR1 (0.66) RAB9AHCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL747865 0.78 HCRTR2 (0.55) HCRTR1HCRTR2MAPT
SCHEMBL755301 0.75 RAB9A (0.47) RAB9ADRD2GRM2TP53SMN1; SMN2
SCHEMBL747007 0.74 HCRTR1 (0.64) HCRTR1HCRTR2MAPT
SCHEMBL1278498 0.74 HCRTR1 (0.64) HCRTR1HCRTR2MAPT
SCHEMBL748081 0.73 HCRTR1 (0.63) HCRTR1HCRTR2MAPT

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 RAB9A 3670/4885DRD2 490/4885GRM2 430/4885

“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.