SCHEMBL3105620

SCHEMBL3105620

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccsc2C(C)CC(C)(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
NTRK1 P04629 1/20 0.41
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 3/20 0.34
WDR5 P61964 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.33
AHR P35869 1/20 0.32
CRHBP P24387 1/20 0.32

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
SCHEMBL3114202 0.89 GAA (0.43) GAANTRK1MAPTSMN1; SMN2KDM4E
SCHEMBL3121441 0.86 RAB9A (0.35) GAANTRK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13295602 0.82 MAPT (0.46) GAANTRK1MAPTSMN1; SMN2KDM4E
SCHEMBL3105863 0.79 GAA (0.44) GAANTRK1MAPTSMN1; SMN2KDM4E
SCHEMBL3113314 0.78 GAA (0.43) GAANTRK1MAPTSMN1; SMN2KDM4E
SCHEMBL3115318 0.78 LMNA (0.50) GAANTRK1POLB
SCHEMBL15312202 0.76 GAA (0.43) GAANTRK1MAPTSMN1; SMN2KDM4E
SCHEMBL6777681 0.74 RAB9A (0.48) GAAMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL3109031 0.73 RAB9A (0.36) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7786610 0.73 MAPT (0.46) GAANTRK1MAPTSMN1; SMN2KDM4E

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-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-101184391-B Substance combinations with synergistic fungicidal activity BAYER CROPSCIENCE AG 2013-07-24 CN 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
CN-101184391-A Substance combinations with synergistic fungicidal activity BAYER CROPSCIENCE AG (DE) 2008-05-21 CN 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 132/4885NTRK1 3880/4885MAPT 4293/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885NTRK1 3880/4885MAPT 4293/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 GAA 93/4885NTRK1 4037/4885MAPT 4023/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885NTRK1 3880/4885MAPT 4293/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885NTRK1 3880/4885MAPT 4293/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885NTRK1 3880/4885MAPT 4293/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885NTRK1 3880/4885MAPT 4293/4885

“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.