SCHEMBL746111

SCHEMBL746111

COc1cc(C2SC(C)C(=O)N2Cc2nc3ccccc3[nH]2)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRMT5 O14744 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
APP P05067 2/20 0.41
CSF1R P07333 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HPGD P15428 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL746991 0.85 KMT2A (0.51) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6520239 0.70 PDE4A (0.67) MAPTNPC1RAB9ASMN1; SMN2PRMT5
SCHEMBL5149817 0.70 KMT2A (0.65) TDP1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL747865 0.67 HCRTR2 (0.55) MAPT
SCHEMBL746017 0.67 HSD11B1 (0.56) MAPT
SCHEMBL25383212 0.66 NPC1 (0.74) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL30354801 0.66 NPC1 (0.74) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3429444 0.66 NPC1 (1.00) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL856385 0.66 NPC1 (0.69) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL745876 0.65 HCRTR1 (0.56) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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 TDP1 4400/4885MAPT 1277/4885NPC1 469/4885

“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.