SCHEMBL1609803

SCHEMBL1609803

COC(=O)c1nc(C2CC2)nc(NC(C)c2ccc(Cl)cc2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.50
PRCP P42785 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A3 Q01959 2/20 0.39
LDHA P00338 2/20 0.37
LDHB P07195 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.35
PRLHR P49683 1/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 1/20 0.35
IDH1 O75874 1/20 0.34
PDE5A O76074 1/20 0.34
PDE9A O76083 1/20 0.34

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
SCHEMBL12712873 0.92 PDE10A (0.52) PDE10APRCPPDE2ANTRK1
SCHEMBL12712859 0.92 PDE10A (0.52) PDE10APRCPPDE2ANTRK1
SCHEMBL1610335 0.91 PDE10A (0.48) PDE10ASLC6A3NTRK1
SCHEMBL1610839 0.91 PDE10A (0.48) PDE10APDE2AIDH1
SCHEMBL1610842 0.91 PDE10A (0.48) PDE10APDE2AIDH1
SCHEMBL1610828 0.91 PDE10A (0.48) PDE10APRCPSMN1; SMN2HPGDALDH1A1
SCHEMBL1610170 0.91 PDE10A (0.50) PDE10AHPGDLDHALDHBALDH1A1
SCHEMBL1611502 0.89 PDE10A (0.49) PDE10APRCPSMN1; SMN2GAAHPGD
SCHEMBL1610749 0.87 SLC6A3 (0.38) PDE10ASMN1; SMN2SLC6A3ALDH1A1KDM4E
SCHEMBL1610091 0.86 P2RX3 (0.46) PDE10ASLC6A3PDE2A

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 1704/4885PRCP 4357/4885SMN1; SMN2 2654/4885

“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.