SCHEMBL1609641

SCHEMBL1609641

COC(=O)c1nc(C2CC2)nc(NCc2cccc(Br)c2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.47
SLC26A6 Q9BXS9 1/20 0.42
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
CHRM3 P20309 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
ADORA3 P0DMS8 5/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL12712720 0.90 PDE10A (0.49) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609721 0.89 PDE10A (0.51) PDE10ASLC26A6PDE4BPDE4DCHRM3
SCHEMBL1610245 0.88 PDE10A (0.47) PDE10ASLC26A6PDE4BPDE4DCHRM3
SCHEMBL1610080 0.88 PDE10A (0.47) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609704 0.87 PDE10A (0.62) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609839 0.87 PDE10A (0.52) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609714 0.86 PDE10A (0.46) PDE10APDE4BPDE4DPDE4APDE4C
SCHEMBL1609822 0.85 PDE10A (0.45) PDE10AAURKARPS6KB1APP
SCHEMBL12712744 0.84 PDE10A (0.47) PDE10APDE4BPDE4DCHRM3PDE4A
SCHEMBL1609147 0.83 PDE10A (0.50) PDE10APDE4BPDE4DCHRM3PDE4A

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 PDE10A 1704/4885SLC26A6 4253/4885PDE4B 1132/4885

“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.