SCHEMBL6311628

SCHEMBL6311628

Cc1cccc2sc(C3=CC(C)N(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ACHE P22303 6/20 0.37
GRIN2B Q13224 2/20 0.37
AGPAT2 O15120 1/20 0.37
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 5/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ADORA2A P29274 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
SCHEMBL6310341 0.89 MAPT (0.42) MAPTGRM5GRM1HPGDL3MBTL1
SCHEMBL5759027 0.81 MAPT (0.38) MAPTACHEGRIN2BAGPAT2GRM5
SCHEMBL1523749 0.73 AADAT (0.48) MAPTL3MBTL1TP53TSHR
SCHEMBL1523750 0.73 AADAT (0.48) MAPTL3MBTL1TP53TSHR
SCHEMBL30254699 0.73 UCHL1 (0.39) GRM5GRM1
SCHEMBL23290493 0.72 L3MBTL1 (0.40) GRM5GRM1L3MBTL1
SCHEMBL429243 0.71 SSTR4 (0.38) GRM5
SCHEMBL7970683 0.71 PDK4 (0.51) GRM5GRM1
SCHEMBL5758095 0.71 MAPT (0.41) MAPTGRM5GRM1HPGDL3MBTL1
SCHEMBL16272011 0.70 GPR119 (0.45) GRM5GRM1

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-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 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-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F MAPT 1416/4885ACHE 477/4885GRIN2B 132/4885

“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.