SCHEMBL1609714

SCHEMBL1609714

COC(=O)c1nc(C2CC2)nc(NCc2cccc([N+](=O)[O-])c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.46
PDE5A O76074 3/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
POLB P06746 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL12712720 0.88 PDE10A (0.49) PDE10APDE5APDE4APDE4BPDE4C
SCHEMBL1609721 0.87 PDE10A (0.51) PDE10AMAPTPDE4APDE4BPDE4C
SCHEMBL1610245 0.86 PDE10A (0.47) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL1609641 0.86 PDE10A (0.47) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL1610080 0.86 PDE10A (0.47) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL1609704 0.86 PDE10A (0.62) PDE10APDE5AALDH1A1KDM4ECYP2C9
SCHEMBL1609839 0.85 PDE10A (0.52) PDE10APDE5AKMT2AALDH1A1MEN1
SCHEMBL1609822 0.84 PDE10A (0.45) PDE10AKMT2AMEN1KDM4ECYP2D6
SCHEMBL1610282 0.82 PDE10A (0.43) PDE10APDE5A
SCHEMBL12712744 0.82 PDE10A (0.47) PDE10ACYP2D6PDE4APDE4BPDE4C

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 1704/4885PDE5A 1238/4885KMT2A 2003/4885

“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.