SCHEMBL1610143

SCHEMBL1610143

COC(=O)c1nc(C2CC2)nc(N(C)CC(O)c2ccccc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
AOC3 Q16853 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
CNR2 P34972 2/20 0.34
PDE10A Q9Y233 1/20 0.34
PRKDC P78527 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL1609817 0.87 CHRM3 (0.37) KDM4EKMT2AMEN1TSHRMAPK1
SCHEMBL1610715 0.84 TSHR (0.38) KDM4ETSHRMAPK1AOC3CNR2
SCHEMBL1609217 0.82 CHRM3 (0.41) TSHRMAPK1CHRM3PDE4APDE4B
SCHEMBL1610436 0.80 PDE10A (0.42) KDM4ETSHRMAPK1CHRM3PDE4A
SCHEMBL1609694 0.80 SMN1; SMN2 (0.41) KDM4EKMT2AMEN1TSHRMAPK1
SCHEMBL1609435 0.78 PDE4B (0.45) KDM4EKMT2AMEN1CHRM3PDE4A
SCHEMBL1610224 0.78 SLC6A3 (0.40) KDM4EKMT2AMEN1TSHRMAPK1
SCHEMBL1608874 0.78 SLC6A3 (0.39) KDM4EKMT2AMEN1TSHRMAPK1
SCHEMBL1609980 0.78 CHRM3 (0.43) KDM4EKMT2AMEN1TSHRMAPK1
SCHEMBL12713240 0.78 CHRM3 (0.39) KDM4ECHRM3PDE4APDE4BPDE4C

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
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 KDM4E 2613/4885KMT2A 2003/4885MEN1 3860/4885

“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.