SCHEMBL1915935

SCHEMBL1915935

Cc1ccc(-c2n[c]sc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
XBP1 P17861 1/20 0.39
ADORA2A P29274 2/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
THRB P10828 1/20 0.35
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL331177 0.85 RARA (0.40) TDP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL17625973 0.84 KDM4E (0.40) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL17626018 0.84 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ESMN1; SMN2MAPK1
SCHEMBL17626168 0.84 ALDH1A1 (0.38) ALDH1A1GAAADORA2AADORA1HTT
SCHEMBL2398650 0.81 SMN1; SMN2 (0.50) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL2396548 0.81 DHODH (0.38) MAPTKDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL2397319 0.81 KIF11 (0.41) TDP1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL17628675 0.80 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL1436527 0.80 MKNK1 (0.42) KDM4EMAPK1LMNAKMT2AMEN1
SCHEMBL1436026 0.80 GAA (0.42) ALDH1A1GAANOTUM

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 12 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 claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
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 TDP1 4222/4885ALDH1A1 623/4885MAPT 1763/4885

“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.