SCHEMBL2895233

SCHEMBL2895233

COC(C)(OC)c1[c]cnn1-c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PDE4B Q07343 1/20 0.33
SLC16A3 O15427 4/20 0.32
SLC16A1 P53985 3/20 0.32
FLT3 P36888 1/20 0.32
HSD11B1 P28845 1/20 0.32
P2RX7 Q99572 1/20 0.31
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL2901246 0.82 RXRA (0.36) KCNN4GAAMEN1KMT2APKM
SCHEMBL2901143 0.80 CYP17A1 (0.37) HSD11B1
SCHEMBL2901157 0.79 RXRA (0.35) KCNN4GAAMAPK11MAPK14PKM
SCHEMBL2900588 0.77 POLB (0.38) SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2897589 0.75 MPO (0.44) SMN1; SMN2GAAPKMSLC16A3SLC16A1
SCHEMBL1903586 0.73 MAPK14 (0.40) KCNN4SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2896694 0.72 PDE4B (0.40) KCNN4SMN1; SMN2GAAMAPK11MAPK14
SCHEMBL2902049 0.71 KCNN4 (0.35) KCNN4SMN1; SMN2GAAMAPK11MAPK14
SCHEMBL2902936 0.67 KCNN4 (0.35) KCNN4SMN1; SMN2GAAMAPK11MAPK14
SCHEMBL27909675 0.66 CNR1 (0.40) MEN1KMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR KCNN4 362/4885SMN1; SMN2 2519/4885GAA 2373/4885

“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.