SCHEMBL2056724

SCHEMBL2056724

COc1cccc(-c2nc(C)sc2C(=O)N2CCSC2CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.43
HCRTR2 O43614 10/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRAF P15056 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 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
SCHEMBL2056870 0.88 HCRTR1 (0.40) HCRTR1HCRTR2KMT2A
SCHEMBL2056833 0.86 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2056966 0.86 HCRTR1 (0.43) HCRTR1HCRTR2MEN1KMT2ABRAF
SCHEMBL2056914 0.85 HCRTR1 (0.46) HCRTR1HCRTR2MEN1KMT2AMAPT
SCHEMBL2056960 0.83 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1
SCHEMBL2056818 0.82 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2APDE4A
SCHEMBL2056850 0.81 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2056920 0.80 FPR2 (0.41) HCRTR1HCRTR2NPC1RAB9AHPGD
SCHEMBL2056846 0.78 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2635818 0.78 HCRTR1 (0.45) HCRTR1HCRTR2NPC1RAB9AHPGD

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 1/4885MEN1 659/4885

“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.