SCHEMBL13304542

SCHEMBL13304542

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F10 P00742 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 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
SCHEMBL7786621 0.86 RAB9A (0.40) MAPTTHRBRAB9AMEN1KMT2A
SCHEMBL13304546 0.85 GAA (0.42) MAPTTHRBRAB9ACYP1A2CYP3A4
SCHEMBL3109031 0.79 RAB9A (0.36) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL13304627 0.78 HPGD (0.46) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL4107508 0.77 ALDH1A1 (0.38) RAB9AALDH1A1HSD17B10NPC1
SCHEMBL12424053 0.76 RAB9A (0.39) MAPTTHRBRAB9ACYP1A2CYP3A4
SCHEMBL13478964 0.76 RAB9A (0.37) MAPTTHRBRAB9ACYP1A2CYP3A4
SCHEMBL12424046 0.74 CHRM3 (0.44) MAPTTHRBCYP1A2CYP3A4CYP2C19
SCHEMBL6689669 0.73 KMT2A (0.40) MAPTTHRBCYP1A2CYP3A4CYP2C19
SCHEMBL12424057 0.73 CHRM3 (0.44) MAPTTHRBRAB9ACYP1A2CYP3A4

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 MAPT 3644/4885THRB 2963/4885RAB9A 1873/4885

“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.