SCHEMBL1611545

SCHEMBL1611545

COC(=O)c1nc(C2CC2)nc(N(C)Cc2ccc(Br)cc2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
PDE4A P27815 2/20 0.41
CHRM3 P20309 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE4C Q08493 1/20 0.41
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
TP53 P04637 1/20 0.33
PTGS2 P35354 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 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
SCHEMBL1609979 0.92 PDE4B (0.42) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1609421 0.91 PDE10A (0.43) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1610429 0.90 PDE10A (0.41) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1610476 0.90 PDE10A (0.41) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1610294 0.90 PDE10A (0.41) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1609728 0.88 PDE10A (0.42) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1609828 0.87 PDE10A (0.39) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1609575 0.87 CRHBP (0.40) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1610432 0.87 TSHR (0.40) PDE10APDE4ACHRM3PDE4BPDE4D
SCHEMBL1609435 0.86 PDE4B (0.45) PDE10APDE4ACHRM3PDE4BPDE4D

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 1704/4885PDE4A 1115/4885CHRM3 2705/4885

“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.