SCHEMBL3128708

SCHEMBL3128708

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
FNTA P49354 15/20 0.53
FNTB P49356 15/20 0.53
GRIA2 P42262 1/20 0.53
GRIA4 P48058 1/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL3133785 0.88 PLA2G1B (0.78) PLA2G1BATG4BFNTAFNTBGRIA2
SCHEMBL3137792 0.84 PLA2G1B (0.61) PLA2G1BATG4BFNTAFNTBGRIA2
SCHEMBL3129020 0.84 FNTA (0.55) FNTAFNTBGRIA2GRIA4KDM4E
SCHEMBL3128242 0.84 L3MBTL1 (0.56) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3135084 0.83 FNTA (0.63) FNTAFNTBGRIA2GRIA4KDM4E
SCHEMBL3139516 0.83 L3MBTL1 (0.49) PLA2G1BATG4BFNTAFNTBGRIA2
SCHEMBL3138034 0.82 FNTA (0.59) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL8280703 0.82 FNTA (0.53) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3128690 0.81 GRIA2 (0.54) FNTAFNTBGRIA2GRIA4KDM4E
SCHEMBL13522749 0.78 FNTA (0.81) FNTAFNTBKDM4EALDH1A1HPGD

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-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
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

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 PLA2G1B 3668/4885ATG4B 1274/4885FNTA 1089/4885

“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.