SCHEMBL3136071

SCHEMBL3136071

CCOC(=O)c1sc(CC)c(C#N)c1-c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.55
FNTB P49356 13/20 0.55
GRIA2 P42262 1/20 0.55
GRIA4 P48058 1/20 0.55
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.43

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
SCHEMBL3135478 0.89 FNTA (0.69) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3129020 0.88 FNTA (0.55) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3137856 0.86 GRIA4 (0.75) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3142539 0.86 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL13522951 0.86 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL5728030 0.86 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3131093 0.85 FNTA (0.53) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL5728066 0.85 GRIA4 (0.73) FNTAFNTBGRIA2GRIA4KMT2A
SCHEMBL8282777 0.84 FNTA (0.52) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL8282788 0.84 GRIA2 (0.54) FNTAFNTBGRIA2GRIA4ALDH1A1

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-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 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-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT FNTA 1089/4885FNTB 2103/4885GRIA2 57/4885

“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.