SCHEMBL743623

SCHEMBL743623

COc1ccc(OC)c(CN2C(=O)CSC2c2c(OC)cccc2OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.64
HCRTR2 O43614 4/20 0.64
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR7 P34969 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42

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
SCHEMBL745129 0.91 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL5156417 0.87 ALDH1A1 (0.53) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL743444 0.87 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2APTGS1
SCHEMBL747429 0.86 HCRTR2 (0.79) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL745505 0.85 HCRTR1 (0.69) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL744347 0.85 HCRTR1 (0.68) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL746074 0.83 MEN1 (0.48) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL746031 0.82 HCRTR2 (0.67) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL5152780 0.82 KMT2A (0.50) HCRTR1HCRTR2MEN1KMT2AKDM4E
SCHEMBL743443 0.82 HCRTR2 (0.61) HCRTR1HCRTR2MEN1KMT2AMAPT

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.