SCHEMBL1610033

SCHEMBL1610033

COC(=O)c1nc(C2CC2)nc(NCc2ccc(Br)o2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.41
GFER P55789 1/20 0.36
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1610061 0.89 PDE10A (0.43) PDE10ANR1I2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL1609858 0.83 PDE10A (0.39) PDE10AALDH1A1NPC1RAB9A
SCHEMBL1608908 0.82 ALDH1A1 (0.43) PDE10AALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL12713266 0.81 PDE10A (0.42) PDE10ANR1I2CYP3A4CYP2D6ALDH1A1
SCHEMBL1609068 0.80 PDE10A (0.44) PDE10ANR1I2CYP3A4CYP2D6ALDH1A1
SCHEMBL1609147 0.80 PDE10A (0.50) PDE10AALDH1A1MAPTSMN1; SMN2
SCHEMBL1609687 0.80 PDE10A (0.45) PDE10ANR1I2CYP3A4CYP2D6ALDH1A1
SCHEMBL1609704 0.80 PDE10A (0.62) PDE10ACYP3A4ALDH1A1
SCHEMBL1609744 0.80 PDE10A (0.39) PDE10ANR1I2CYP3A4CYP2D6ALDH1A1
SCHEMBL12737661 0.79 PDE10A (0.40) PDE10ANR1I2CYP3A4CYP2D6ALDH1A1

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 6 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
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO 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 1704/4885GFER 47/4885NR1I2 3289/4885

“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.