SCHEMBL1609110

SCHEMBL1609110

COC(=O)c1nc(C2CC2)nc(NCc2ccc(Cl)cc2Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A3 Q01959 1/20 0.42
P2RX7 Q99572 8/20 0.40
S1PR4 O95977 1/20 0.40
PDE10A Q9Y233 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKCQ Q04759 1/20 0.39
EIF2AK1 Q9BQI3 1/20 0.39
EPHX2 P34913 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
SCHEMBL1610988 0.90 HPGD (0.40) HPGDNPSR1SLC6A3P2RX7PDE10A
SCHEMBL1608875 0.87 ALDH1A1 (0.51) HPGDSLC6A3PDE10AALDH1A1SMN1; SMN2
SCHEMBL1609147 0.85 PDE10A (0.50) HPGDNPSR1SLC6A3PDE10AALDH1A1
SCHEMBL1609253 0.84 NTRK1 (0.40) P2RX7PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1610289 0.84 ADORA3 (0.39) PDE10APRKCQ
SCHEMBL12712720 0.83 PDE10A (0.49) PDE10A
SCHEMBL1609762 0.83 MAPT (0.44) HPGDNPSR1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13769165 0.83 PDE10A (0.40) HPGDPDE10AALDH1A1
SCHEMBL12712820 0.83 PDE10A (0.40) HPGDNPSR1PDE10A
SCHEMBL1609687 0.83 PDE10A (0.45) SLC6A3PDE10AALDH1A1SMN1; SMN2HSD17B10

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 HPGD 1668/4885NPSR1 2070/4885SLC6A3 2437/4885

“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.