SCHEMBL1609457

SCHEMBL1609457

COC(=O)c1nc(C2CC2)nc(NCCN2CCOCC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIM1 P11309 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ACHE P22303 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1610967 0.82 BRAF (0.38) KDM4EALDH1A1PDE10ALMNA
SCHEMBL1609076 0.81 PDE10A (0.41) ALDH1A1HSD17B10PDE10ASMN1; SMN2
SCHEMBL13769317 0.78 LMNA (0.39) KDM4EALDH1A1HSD17B10RXFP1PDE10A
SCHEMBL1610187 0.77 GAA (0.44) KDM4EALDH1A1HSD17B10PDE10ASMN1; SMN2
SCHEMBL1608711 0.76 PDE10A (0.41) ALDH1A1HSD17B10PDE10ASMN1; SMN2
SCHEMBL1610336 0.76 PGK1 (0.46) KDM4EALDH1A1HSD17B10RXFP1SMN1; SMN2
SCHEMBL1609242 0.76 TSHR (0.42) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL1610344 0.75 PDE10A (0.44) ALDH1A1HSD17B10PDE10ATDP1SMN1; SMN2
SCHEMBL1609426 0.74 PDE10A (0.48) KDM4EALDH1A1HSD17B10PDE10ASMN1; SMN2
SCHEMBL12738459 0.74 PDE10A (0.38) ALDH1A1HSD17B10PDE10ASMN1; SMN2

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 KDM4E 2613/4885ALDH1A1 1562/4885HSD17B10 1869/4885

“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.