SCHEMBL2056870

SCHEMBL2056870

Cc1nc(-c2cccc(Cl)c2)c(C(=O)N2CCSC2CN)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.40
HCRTR2 O43614 15/20 0.40
RORB Q92753 1/20 0.39
JAK2 O60674 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL2056724 0.88 HCRTR1 (0.43) HCRTR1HCRTR2KMT2A
SCHEMBL2056914 0.86 HCRTR1 (0.46) HCRTR1HCRTR2RORBKMT2A
SCHEMBL2056940 0.85 HCRTR1 (0.40) HCRTR1HCRTR2RORBJAK2CYP3A4
SCHEMBL2057239 0.85 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2056960 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4785253 0.83 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2056850 0.82 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2056861 0.78 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL28304845 0.77 NPC1 (0.54) KMT2A
SCHEMBL2635326 0.77 HCRTR1 (0.49) HCRTR1HCRTR2

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 HCRTR1 2/4885HCRTR2 1/4885RORB 102/4885

“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.