SCHEMBL1610163

SCHEMBL1610163

COC(=O)c1nc(C2CC2)nc(NCC2CCCO2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13769317 0.90 LMNA (0.39) HPGDHSD17B10MAPK1HTTLMNA
SCHEMBL1608711 0.83 PDE10A (0.41) HSD17B10ALDH1A1NPSR1SMN1; SMN2
SCHEMBL1609364 0.82 PDE10A (0.39) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1610414 0.82 PDE10A (0.39) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1609650 0.80 PDE10A (0.34) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1609076 0.80 PDE10A (0.41) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2137509 0.77 LMNA (0.47) HPGDHSD17B10MAPK1HTTLMNA
SCHEMBL12738459 0.76 PDE10A (0.38) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL11902908 0.76 PDE10A (0.41) HSD17B10LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL12713032 0.75 PDE10A (0.35) HSD17B10ALDH1A1SMN1; 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 4 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
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 HPGD 1668/4885HSD17B10 1869/4885MAPK1 1418/4885

“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.