SCHEMBL2396548

SCHEMBL2396548

Cc1s[c]nc1-c1ccc(C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.38
PAX8 Q06710 1/20 0.38
NOD2 Q9HC29 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERBB2 P04626 1/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NOTUM Q6P988 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2402722 0.83 DHODH (0.41) DHODHRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL17625973 0.81 KDM4E (0.40) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL1915935 0.81 TDP1 (0.42) RAB9AMAPTL3MBTL1ERBB2NPC1
SCHEMBL331177 0.79 RARA (0.40) PDE10ARAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL2397874 0.78 MAPT (0.38) DHODHMAPTSMN1; SMN2KDM4ENPSR1
SCHEMBL17626018 0.78 ALDH1A1 (0.37) DHODHRAB9AMAPTL3MBTL1ERBB2
SCHEMBL17626168 0.78 ALDH1A1 (0.38) MAPK14HTT
SCHEMBL2399923 0.77 ALDH1A1 (0.31) MAPTHPGDMEN1KMT2A
SCHEMBL2397319 0.75 KIF11 (0.41) DHODHRAB9ANPC1KDM4EHPGD
SCHEMBL2398650 0.75 SMN1; SMN2 (0.50) RAB9AMAPTNPC1SMN1; SMN2NISCH

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
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-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
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-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 DHODH 971/4885PDE10A 549/4885RAB9A 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.