SCHEMBL2056664

SCHEMBL2056664

COC(=O)c1nc(N(C)C)sc1-c1ccc(C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
PKM P14618 4/20 0.48
RCE1 Q9Y256 1/20 0.48
HCRTR1 O43613 5/20 0.47
HCRTR2 O43614 5/20 0.47
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B1 P14061 1/20 0.35

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
SCHEMBL984634 0.85 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL269966 0.84 KDM4E (0.52) KDM4EPKMRCE1HCRTR1HCRTR2
SCHEMBL2056904 0.84 KDM4E (0.49) KDM4EPKMRCE1HCRTR1HCRTR2
SCHEMBL986683 0.83 KDM4E (0.51) KDM4EPKMRCE1HCRTR1HCRTR2
SCHEMBL1964753 0.82 KDM4E (0.70) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2056898 0.82 KDM4E (0.50) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1966769 0.80 KDM4E (0.49) KDM4EPKMRCE1HCRTR1HCRTR2
SCHEMBL2056772 0.80 KDM4E (0.48) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL7946068 0.76 MAPT (0.40) HCRTR1HCRTR2ALDH1A1LMNAMAPT
SCHEMBL3345496 0.74 KMO (0.45) HCRTR1HCRTR2ALDH1A1HPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KDM4E 3641/4885PKM 2689/4885RCE1 3539/4885

“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.