SCHEMBL1609486

SCHEMBL1609486

COC(=O)c1nc(C2CC2)nc(NCCc2cccs2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.57
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
SLC26A6 Q9BXS9 1/20 0.42
HRH4 Q9H3N8 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
PDE10A Q9Y233 5/20 0.37
BRD4 O60885 2/20 0.36
IGF1R P08069 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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 0.90 CHRM3 (0.55) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609426 0.83 PDE10A (0.48) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610344 0.80 PDE10A (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1608939 0.80 ALDH1A1 (0.44) RAB9ANPC1CYP1A2HTTPDE10A
SCHEMBL1608985 0.80 PDE10A (0.47) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610108 0.79 PDE10A (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610384 0.78 CHRM3 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1611022 0.77 CA1 (0.50)
SCHEMBL1609744 0.77 PDE10A (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609687 0.77 PDE10A (0.45) CHRM3PDE4APDE4BPDE4CPDE4D

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 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.