SCHEMBL1609797

SCHEMBL1609797

COC(=O)c1nc(C2CC2)nc(N(Cc2ccc(C)o2)C(C)C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
THRB P10828 2/20 0.34
PDE10A Q9Y233 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AR P10275 5/20 0.33
ALOX5 P09917 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1609605 0.87 PDE10A (0.44) GAATHRBPDE10AALOX5HSP90AA1
SCHEMBL1609787 0.86 GAA (0.37) GAATHRBPDE10ASMN1; SMN2ALOX5
SCHEMBL12712921 0.82 CHRM3 (0.40) PDE10ASMN1; SMN2POLBKMT2ALMNA
SCHEMBL1610061 0.77 PDE10A (0.43) PDE10ASMN1; SMN2LMNA
SCHEMBL1609886 0.74 CHRM3 (0.38) PDE10ASMN1; SMN2POLBKMT2ALMNA
SCHEMBL1613175 0.73 TUBB4A (0.41) PDE10APOLBKMT2A
SCHEMBL1609799 0.73 NFE2L2 (0.37) SMN1; SMN2KMT2ALMNA
SCHEMBL1609798 0.73 NFE2L2 (0.37) SMN1; SMN2KMT2ALMNA
SCHEMBL1609450 0.72 TUBB4A (0.42) GAAPDE10ASMN1; SMN2POLBTP53
SCHEMBL1609421 0.72 PDE10A (0.43) GAAPDE10ASMN1; SMN2HSP90AA1HSP90B1

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 GAA 1293/4885THRB 1495/4885PDE10A 1704/4885

“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.