SCHEMBL3105863

SCHEMBL3105863

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccsc2CCC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.35
NTRK1 P04629 1/20 0.35
RECQL P46063 1/20 0.34
WDR5 P61964 1/20 0.34
HPGD P15428 1/20 0.34
AHR P35869 1/20 0.33

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
SCHEMBL3113314 0.86 GAA (0.43) GAAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL3117697 0.84 RAB9A (0.35) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL15312202 0.80 GAA (0.43) GAAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL4668294 0.79 GAA (0.42) GAAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL3105620 0.79 GAA (0.42) GAAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL3117837 0.77 LMNA (0.52) GAAPOLB
SCHEMBL3114202 0.76 GAA (0.43) GAAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL5165086 0.74 MAPT (0.53) GAAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL23367943 0.73 MAPT (0.55) GAAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL21652164 0.73 MAPT (0.52) GAAMAPTSMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575064-B2 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2013-11-05 US disclosed
US-20130281496-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
CN-102907432-A Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG 2013-02-06 CN disclosed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 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 (7 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-20130281496-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885MAPT 4293/4885SMN1; SMN2 3004/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885MAPT 4293/4885SMN1; SMN2 3004/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 GAA 93/4885MAPT 4023/4885SMN1; SMN2 3381/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885MAPT 4293/4885SMN1; SMN2 3004/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885MAPT 4293/4885SMN1; SMN2 3004/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885MAPT 4293/4885SMN1; SMN2 3004/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885MAPT 4293/4885SMN1; SMN2 3004/4885

“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.