SCHEMBL746991

SCHEMBL746991

COc1cc(C2SCC(=O)N2Cc2nc3ccccc3[nH]2)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 3/20 0.45
PRMT5 O14744 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
CSF1R P07333 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
PDE4A P27815 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
SCHEMBL5149817 0.87 KMT2A (0.65) KMT2AMEN1SMN1; SMN2TDP1POLB
SCHEMBL746111 0.85 TDP1 (0.48) SMN1; SMN2TDP1POLBNPC1RAB9A
SCHEMBL745876 0.80 HCRTR1 (0.56) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL5156120 0.78 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2TDP1POLB
SCHEMBL5153185 0.76 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2TDP1POLB
SCHEMBL5149640 0.74 MEN1 (0.46) KMT2AMEN1SMN1; SMN2TDP1NPC1
SCHEMBL7124827 0.73 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2TDP1POLB
SCHEMBL746506 0.68 HCRTR1 (0.69) KMT2AMEN1TDP1ALDH1A1
SCHEMBL6520239 0.68 PDE4A (0.67) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL745952 0.67 KMT2A (0.63) KMT2AMEN1SMN1; SMN2TDP1POLB

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 KMT2A 2161/4885MEN1 1209/4885SMN1; SMN2 3126/4885

“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.