SCHEMBL1609744

SCHEMBL1609744

COC(=O)c1nc(C2CC2)nc(NCc2ccsc2Br)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.39
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM3 P20309 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1609068 0.84 PDE10A (0.44) PDE10ANR1I2CYP3A4CYP2D6CHRM3
SCHEMBL1610085 0.82 CHRM3 (0.55) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1608875 0.82 ALDH1A1 (0.51) PDE10ACYP3A4PDE4AALDH1A1SMN1; SMN2
SCHEMBL1609763 0.81 PDE10A (0.47) PDE10ANR1I2CYP3A4CYP2D6CHRM3
SCHEMBL1610382 0.80 PDE10A (0.44) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610277 0.80 PDE10A (0.44) PDE10ANR1I2CYP3A4CYP2D6CHRM3
SCHEMBL1610305 0.80 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1609110 0.80 HPGD (0.50) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1609704 0.80 PDE10A (0.62) PDE10ACYP3A4CHRM3PDE4APDE4B
SCHEMBL1609687 0.80 PDE10A (0.45) PDE10ANR1I2CYP3A4CYP2D6CHRM3

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 3 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

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 1704/4885NR1I2 3289/4885CYP3A4 286/4885

“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.