SCHEMBL2056937

SCHEMBL2056937

Cc1nc(C(=O)N2CCSC2C(N)=O)c(-c2cccc(Cl)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.47
HCRTR2 O43614 12/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
IKBKB O14920 1/20 0.38
FPR2 P25090 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2634985 0.90 HCRTR1 (0.52) HCRTR1HCRTR2FPR2
SCHEMBL2056738 0.89 HCRTR1 (0.43) HCRTR1HCRTR2FPR2
SCHEMBL2636011 0.88 HCRTR1 (0.44) HCRTR1HCRTR2FPR2KMT2AALDH1A1
SCHEMBL2056915 0.87 HCRTR1 (0.42) HCRTR1HCRTR2SMN1; SMN2RAB9AIKBKB
SCHEMBL2056861 0.86 HCRTR1 (0.44) HCRTR1HCRTR2SMN1; SMN2RAB9AFPR2
SCHEMBL2056830 0.84 HCRTR1 (0.48) HCRTR1HCRTR2FPR2
SCHEMBL2634914 0.82 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2056940 0.78 HCRTR1 (0.40) HCRTR1HCRTR2SMN1; SMN2RAB9ARECQL
SCHEMBL2635322 0.77 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2636052 0.77 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2RAB9ARECQL

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 4 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
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 1/4885SMN1; SMN2 3479/4885

“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.