SCHEMBL1610085

SCHEMBL1610085

COC(=O)c1nc(C2CC2)nc(NCc2cccs2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.55
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
PDE10A Q9Y233 11/20 0.44
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL1609486 0.90 CHRM3 (0.57) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610230 0.86 CHRM3 (0.53) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610233 0.83 CHRM3 (0.51) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609687 0.83 PDE10A (0.45) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609704 0.83 PDE10A (0.62) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609744 0.82 PDE10A (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1610084 0.82 PDE10A (0.56) PDE10AKMT2AALDH1A1
SCHEMBL1609755 0.82 PDE10A (0.63) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1608908 0.81 ALDH1A1 (0.43) PDE10AKMT2AHPGDMEN1POLB
SCHEMBL1608875 0.81 ALDH1A1 (0.51) PDE4APDE10ARAB9AKMT2AHPGD

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.