SCHEMBL3294649

SCHEMBL3294649

COC(=O)c1cn(C)nc1C(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
NR4A2 P43354 2/20 0.37
GAA P10253 2/20 0.37
BRD4 O60885 2/20 0.36
ADCY10 Q96PN6 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL23142702 0.85 MAPT (0.40) MAPTNR4A2GAABRD4ADCY10
SCHEMBL5652284 0.85 GAA (0.35) MAPTGAAALDH1A1KMT2AL3MBTL1
SCHEMBL596089 0.83 GAA (0.40) MAPTNR4A2GAABRD4ADCY10
SCHEMBL3296730 0.83 MAPT (0.39) MAPTNR4A2GAABRD4ADCY10
SCHEMBL1864010 0.78 GAA (0.42) MAPTNR4A2GAABRD4ADCY10
SCHEMBL3256540 0.75 KDM4E (0.36) MAPTGAAALDH1A1KMT2AGLA
SCHEMBL841632 0.75 GAA (0.51) MAPTNR4A2GAABRD4ALDH1A1
SCHEMBL4443917 0.75 CNR2 (0.47) MAPTNR4A2GAABRD4ADCY10
SCHEMBL23362881 0.74 NR4A2 (0.40) MAPTNR4A2GAABRD4ADCY10
SCHEMBL5653038 0.74 GAA (0.42) MAPTNR4A2GAABRD4ADCY10

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-1678142-B1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-10-01 EP disclosed
US-7732375-B2 Hexyl carboxanilides and their use for controlling fungi BAYER CROPSCIENCE AG (DE) 2010-06-08 US 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
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-02-15 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 (2 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 3644/4885NR4A2 4152/4885GAA 1203/4885
US-20070037858-A1 anilide fungicides such as 1,3,5-trimethyl-N-[2-(1,3,3-trimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide, used for controlling unwanted microorganisms CYP51A1, CYP1A1, CYP1B1 MAPT 3137/4885NR4A2 2425/4885GAA 380/4885

“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.