SCHEMBL1610233

SCHEMBL1610233

CN(C(=O)c1nc(C2CC2)nc(NCc2cccs2)c1Cl)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.51
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
PDE10A Q9Y233 6/20 0.41
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL1610085 0.83 CHRM3 (0.55) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610230 0.82 CHRM3 (0.53) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609486 0.74 CHRM3 (0.57) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610420 0.74 ALDH1A1 (0.38) PDE10AHSD17B10HPGDKMT2ATSHR
SCHEMBL1610082 0.68 ERCC1 (0.34) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1611084 0.67 PDE10A (0.60) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609744 0.67 PDE10A (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1611392 0.67 PDE10A (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609704 0.66 PDE10A (0.62) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610084 0.66 PDE10A (0.56) PDE10ACYP3A4CYP2D6KMT2AALDH1A1

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 1 patent. 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

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 CHRM3 2705/4885PDE4A 1115/4885PDE4B 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.