SCHEMBL13304548

SCHEMBL13304548

CC(C)CC(C)c1cc(F)ccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
NTRK1 P04629 1/20 0.42
STING1 Q86WV6 1/20 0.42
GAA P10253 4/20 0.41
KDM4E B2RXH2 1/20 0.41
DHODH Q02127 1/20 0.40
WDR5 P61964 3/20 0.39
BACE1 P56817 3/20 0.39
BACE2 Q9Y5Z0 3/20 0.39
NPSR1 Q6W5P4 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8411920 0.89 LMNA (0.60) LMNAPOLBNTRK1STING1GAA
SCHEMBL3177328 0.86 LMNA (0.53) LMNAPOLBNTRK1STING1GAA
SCHEMBL10238303 0.86 ALDH1A1 (0.38) LMNAPOLBGAAKDM4EDHODH
SCHEMBL15132716 0.86 ATM (0.49) NTRK1GAADHODHCYP1A2CYP2C9
SCHEMBL13304875 0.85 ALDH1A1 (0.42) LMNAPOLBGAADHODHCYP1A2
SCHEMBL4107508 0.85 ALDH1A1 (0.38) LMNADHODH
SCHEMBL14209208 0.83 LMNA (0.55) LMNAPOLBGAAKDM4ENPSR1
SCHEMBL973103 0.81 LMNA (0.62) LMNAPOLBSTING1GAAKDM4E
SCHEMBL973582 0.81 LMNA (0.56) LMNAPOLBSTING1GAAKDM4E
SCHEMBL17144786 0.80 LMNA (0.53) LMNAPOLBNTRK1STING1GAA

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 LMNA 4156/4885POLB 1165/4885NTRK1 4456/4885

“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.