SCHEMBL13304549

SCHEMBL13304549

CC(C)CC(C)c1ccccc1NC(=O)c1cn(C)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
POLB P06746 2/20 0.41
JAK2 O60674 5/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
DHODH Q02127 1/20 0.37
JAK1 P23458 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
LRRK2 Q5S007 1/20 0.37
NR3C1 P04150 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
SCHEMBL10238203 0.87 ATM (0.47) ATMPOLBLMNAGAASMN1; SMN2
SCHEMBL272573 0.87 ATM (0.62) ATMLMNAGAASMN1; SMN2
SCHEMBL3255460 0.86 ATM (0.45) ATMPOLBLMNAGAASMN1; SMN2
SCHEMBL13295595 0.86 ATM (0.45) ATMPOLBJAK2LMNAGAA
SCHEMBL13304626 0.85 ATM (0.46) ATMLMNAGAAIRAK4DHODH
SCHEMBL13304875 0.84 ALDH1A1 (0.42) ATMPOLBLMNAGAADHODH
SCHEMBL3253740 0.84 ATM (0.45) ATMPOLBLMNAGAADHODH
SCHEMBL273301 0.84 ATM (0.45) ATMIRAK4DHODH
SCHEMBL3177328 0.83 LMNA (0.53) ATMPOLBLMNAGAAIRAK4
SCHEMBL4831743 0.80 HPGD (0.59) POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ATM 3233/4885POLB 1165/4885JAK2 1733/4885

“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.