SCHEMBL3258073

SCHEMBL3258073

Cc1nc(O)c(C(=O)Nc2ccccc2C(C)CC(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 3/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 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
SCHEMBL1449903 0.89 RAB9A (0.55) RAB9ARECQLKMT2AMEN1NPC1
SCHEMBL3254300 0.85 KMT2A (0.44) RAB9ARECQLKMT2AMEN1PKM
SCHEMBL7786621 0.85 RAB9A (0.40) RAB9ARECQLKMT2AMEN1PKM
SCHEMBL7786610 0.84 MAPT (0.46) RAB9ARECQLKMT2AMEN1SMN1; SMN2
SCHEMBL13304854 0.81 KMT2A (0.65) RAB9AKMT2AMEN1PKMNPC1
SCHEMBL13295628 0.76 RAB9A (0.53) RAB9ARECQLKMT2AMEN1NPC1
SCHEMBL3250285 0.74 SMN1; SMN2 (0.37) RAB9AKMT2AMEN1PKMNPC1
SCHEMBL28465404 0.74 USP2 (0.39) RAB9AKMT2AMEN1PKMNPC1
SCHEMBL14423074 0.74 ALDH1A1 (0.50) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL13295602 0.73 MAPT (0.46) RAB9ARECQLKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678141-B1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
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
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 RAB9A 1873/4885RECQL 2613/4885KMT2A 1139/4885

“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.