SCHEMBL1915656

SCHEMBL1915656

COc1ccc(-c2ccccc2-c2csc(NC3CC3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.48
FYN P06241 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HASPIN Q8TF76 1/20 0.45
TYR P14679 1/20 0.43
CYP19A1 P11511 2/20 0.43
MAPT P10636 1/20 0.42
SYK P43405 1/20 0.42
CYP2A6 P11509 1/20 0.41
VCP P55072 1/20 0.40
AMY1A P0DUB6 1/20 0.40
CCNK O75909 1/20 0.40
CDK9 P50750 1/20 0.40
PDE10A Q9Y233 1/20 0.39
NPY5R Q15761 1/20 0.39
KCNH2 Q12809 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39

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
SCHEMBL16498013 0.89 CCNK (0.44) FFAR2NPC1RAB9ATYRCCNK
SCHEMBL1914994 0.86 FFAR2 (0.48) FFAR2FYNHASPINTYRCYP19A1
SCHEMBL16498003 0.86 NPC1 (0.46) NPC1RAB9ATYRMAPTVCP
SCHEMBL16498184 0.86 FFAR2 (0.43) FFAR2FYNNPC1RAB9AHASPIN
SCHEMBL16498186 0.86 FFAR2 (0.43) FFAR2FYNNPC1RAB9AHASPIN
SCHEMBL1915039 0.85 AR (0.48) FFAR2FYNNPC1RAB9ACYP19A1
SCHEMBL16498043 0.84 FFAR2 (0.41) FFAR2FYNNPC1RAB9ATYR
SCHEMBL16498375 0.84 RAB9A (0.48) NPC1RAB9ATYRMAPTVCP
SCHEMBL16498495 0.83 RAB9A (0.46) NPC1RAB9ATYRMAPTVCP
SCHEMBL1915236 0.82 NPC1 (0.47) FFAR2NPC1RAB9ATYRMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC FFAR2 295/4885FYN 3212/4885NPC1 28/4885

“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.