SCHEMBL3238136

SCHEMBL3238136

CC(C)CC(C)c1ccccc1NC(=O)c1ccsc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CFTR P13569 1/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13304628 0.88 NAMPT (0.44) LMNAGAAPKMALDH1A1CFTR
SCHEMBL13292680 0.86 LMNA (0.39) LMNAGAAPKMALDH1A1CFTR
SCHEMBL13303620 0.85 MAPT (0.51) LMNAGAAALDH1A1CFTRMAPT
SCHEMBL13292781 0.85 MAPT (0.39) LMNAGAAPKMALDH1A1CFTR
SCHEMBL13292623 0.85 LMNA (0.38) LMNAGAAPKMALDH1A1CFTR
SCHEMBL13292673 0.83 ALDH1A1 (0.37) LMNAALDH1A1MAPT
SCHEMBL13292672 0.82 PRNP (0.36) LMNAGAAALDH1A1MAPTHTT
SCHEMBL14364837 0.82 TDP1 (0.49) LMNAGAAPKMALDH1A1CFTR
SCHEMBL273890 0.82 TDP1 (0.49) LMNAGAAPKMALDH1A1CFTR
SCHEMBL14364836 0.82 TDP1 (0.49) LMNAGAAPKMALDH1A1CFTR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745483-B2 2-Halofuryl-thienyl-3-carboxamides BAYER CROPSCIENCE AG (DE) 2010-06-29 US claimed
EP-1713789-B1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES BAYER IP GMBH (DE) 2015-05-27 EP disclosed
EP-1713789-B1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-7745483-B2 2-Halofuryl-thienyl-3-carboxamides BAYER CROPSCIENCE AG (DE) 2010-06-29 US disclosed
US-7745483-B2 2-Halofuryl-thienyl-3-carboxamides BAYER CROPSCIENCE AG (DE) 2010-06-29 US disclosed
US-7745483-B2 2-Halofuryl-thienyl-3-carboxamides BAYER CROPSCIENCE AG (DE) 2010-06-29 US disclosed
US-20080064874-A1 2-Halofuryl/Thienyl-3-Carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-03-13 US disclosed
US-20080064874-A1 2-Halofuryl/Thienyl-3-Carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-03-13 US disclosed
US-20080064874-A1 2-Halofuryl/Thienyl-3-Carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-03-13 US disclosed
EP-1713789-A1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2006-10-25 EP disclosed
WO-2005075452-A1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-08-18 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-20080064874-A1 2-Halofuryl/Thienyl-3-Carboxamides HDHD5, HACL2, MRPL21 LMNA 4539/4885GAA 617/4885PKM 1301/4885

“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.