SCHEMBL2056818

SCHEMBL2056818

COc1cccc(-c2nccnc2C(=O)N2CCSC2CN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.47
HCRTR2 O43614 7/20 0.47
PDE10A Q9Y233 3/20 0.41
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 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
SCHEMBL2056990 0.87 HCRTR1 (0.51) HCRTR1HCRTR2PDE10A
SCHEMBL2634959 0.85 HCRTR1 (0.49) HCRTR1HCRTR2PDE10ANPC1HPGD
SCHEMBL2635818 0.85 HCRTR1 (0.45) HCRTR1HCRTR2NPC1HPGDRAB9A
SCHEMBL2056953 0.82 KCNA5 (0.39) HCRTR1HCRTR2PDE10ASMN1; SMN2NPSR1
SCHEMBL2056724 0.82 HCRTR1 (0.43) HCRTR1HCRTR2NPC1HPGDRAB9A
SCHEMBL2056833 0.81 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2056920 0.80 FPR2 (0.41) HCRTR1HCRTR2NPC1HPGDRAB9A
SCHEMBL2635826 0.80 PDE10A (0.39) HCRTR1HCRTR2PDE10A
SCHEMBL2056846 0.79 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2635385 0.77 HCRTR1 (0.44) 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 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 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 1/4885PDE10A 2618/4885

“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.