SCHEMBL1610327

SCHEMBL1610327

COC(=O)c1nc(C2CC2)nc(NC2(CCc3ccccc3)CC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.42
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PLA2G2A P14555 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL1609426 0.83 PDE10A (0.48) PDE10AALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL1608985 0.81 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL1609704 0.80 PDE10A (0.62) PDE10AALDH1A1CYP1A2CHRM3PDE4A
SCHEMBL1610108 0.80 PDE10A (0.46) PDE10AALDH1A1MEN1KMT2ACHRM3
SCHEMBL1609894 0.79 PDE10A (0.43) PDE10AALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL1610052 0.78 SLC6A3 (0.38) SMN1; SMN2CYP1A2TSHRKMT2AL3MBTL1
SCHEMBL1609302 0.77 PDE10A (0.43) PDE10AALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL1610098 0.77 PDE5A (0.44) PDE10AALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL12713074 0.77 PDE10A (0.35) PDE10AALDH1A1SMN1; SMN2CYP1A2HSD17B10
SCHEMBL1610775 0.77 PDE10A (0.35) PDE10AALDH1A1SMN1; SMN2CYP1A2HSD17B10

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 3 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

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 1704/4885ALDH1A1 1562/4885SMN1; 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.