SCHEMBL748256

SCHEMBL748256

O=C1CSC(C2=COC(Cc3ccccc3)O2)N1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.55
HCRTR2 O43614 9/20 0.55
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL747924 0.89 KMT2A (0.53) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL5156109 0.82 KMT2A (0.44) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL5149614 0.82 KMT2A (0.43) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL5151409 0.82 KMT2A (0.43) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL5156194 0.80 KMT2A (0.47) HCRTR1HCRTR2KMT2AMEN1POLB
SCHEMBL745869 0.78 HCRTR1 (0.54) HCRTR1HCRTR2KMT2AMEN1POLB
SCHEMBL745095 0.78 HCRTR1 (0.60) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL27848119 0.77 HCRTR1 (0.59) HCRTR1HCRTR2KMT2AMEN1ALDH1A1
SCHEMBL5156907 0.76 KMT2A (0.60) HCRTR1HCRTR2KMT2AMEN1POLB
SCHEMBL4787156 0.74 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1

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 HCRTR1 1/4885HCRTR2 2/4885KMT2A 2161/4885

“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.