SCHEMBL13304546

SCHEMBL13304546

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2C(C)CC(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
NTRK1 P04629 1/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
WDR5 P61964 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 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
SCHEMBL7786610 0.87 MAPT (0.46) GAANTRK1MAPTKDM4EHTT
SCHEMBL13304542 0.85 MAPT (0.38) MAPTKDM4ESMN1; SMN2ALDH1A1THRB
SCHEMBL2199397 0.80 MEN1 (0.48) GAAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL3114202 0.80 GAA (0.43) GAANTRK1MAPTKDM4EHTT
SCHEMBL2196885 0.79 LIPE (0.46) GAAMAPTKDM4EHTTSMN1; SMN2
SCHEMBL13304548 0.77 LMNA (0.50) GAANTRK1KDM4EWDR5LMNA
SCHEMBL4668294 0.77 GAA (0.42) GAANTRK1MAPTKDM4EHTT
SCHEMBL13304627 0.77 HPGD (0.46) GAAMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7787348 0.76 MAPT (0.51) GAANTRK1MAPTKDM4EHTT
SCHEMBL2200148 0.76 MAPT (0.49) GAANTRK1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms BAYER CROPSCIENCE AG (DE) 2007-08-23 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-20070196406-A1 1,3-Dimethylbutyl carboxanilides for controlling undesirable micro-organisms MCRS1, MRM1, PADI1 GAA 1203/4885NTRK1 4456/4885MAPT 3644/4885

“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.