SCHEMBL2056953

SCHEMBL2056953

Cc1ccc(-c2nccnc2C(=O)N2CCSC2CN)cc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.39
HCRTR1 O43613 10/20 0.38
HCRTR2 O43614 10/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2635826 0.91 PDE10A (0.39) HCRTR1HCRTR2PDE10A
SCHEMBL2056990 0.87 HCRTR1 (0.51) HCRTR1HCRTR2PDE10A
SCHEMBL2635182 0.84 HCRTR1 (0.38) KCNA5HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2636407 0.83 KCNA5 (0.39) KCNA5HCRTR1HCRTR2LMNA
SCHEMBL2056818 0.82 HCRTR1 (0.47) HCRTR1HCRTR2MEN1ALDH1A1KMT2A
SCHEMBL3345952 0.79 HCRTR1 (0.38) HCRTR1HCRTR2MEN1ALDH1A1MAPK1
SCHEMBL2056718 0.77 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2056659 0.77 HCRTR1 (0.43) KCNA5HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2635825 0.76 PDE10A (0.40) HCRTR1HCRTR2PDE10A
SCHEMBL2057025 0.75 CYP1A2 (0.41) KCNA5HCRTR1HCRTR2LMNA

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 5 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 claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 CN disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US 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 KCNA5 1430/4885HCRTR1 2/4885HCRTR2 1/4885

“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.