SCHEMBL1915580

SCHEMBL1915580

CCOc1ccc(-c2ccccc2-c2csc(NC)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
AR P10275 1/20 0.46
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 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
SCHEMBL1915039 0.88 AR (0.48) CYP19A1ARRAB9ANPC1MAPT
SCHEMBL1915663 0.87 AR (0.43) CYP19A1ARRAB9ANPC1MAPT
SCHEMBL1915320 0.87 AR (0.43) CYP19A1ARRAB9ANPC1MAPT
SCHEMBL1914971 0.81 AR (0.51) ARRAB9ANPC1MAPTMEN1
SCHEMBL1915793 0.80 NPC1 (0.54) ARRAB9ANPC1MAPTMEN1
SCHEMBL1916768 0.80 AR (0.50) ARRAB9ANPC1MAPTMEN1
SCHEMBL1916798 0.79 CCNK (0.41) ARRAB9ANPC1MAPTMEN1
SCHEMBL1915120 0.78 AR (0.48) ARRAB9ANPC1MAPTMEN1
SCHEMBL1915221 0.78 AR (0.47) CYP19A1ARRAB9ANPC1MAPT
SCHEMBL27858037 0.77 AR (0.43) ARRAB9ANPC1MAPTMEN1

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 CYP19A1 179/4885AR 2226/4885RAB9A 1681/4885

“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.