SCHEMBL1609894

SCHEMBL1609894

COC(=O)c1nc(C2CC2)nc(NC(C)CCc2ccccc2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
LMNA P02545 2/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
G6PD P11413 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1608801 0.84 MTNR1A (0.41) PDE10AALDH1A1SMN1; SMN2LPAR2HSD17B10
SCHEMBL1609426 0.83 PDE10A (0.48) PDE10ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL1609174 0.83 MAPT (0.45) PDE10AALDH1A1HPGDMAPTHSD17B10
SCHEMBL12738485 0.83 PDE10A (0.43) PDE10ALMNAALDH1A1MEN1KMT2A
SCHEMBL1610170 0.82 PDE10A (0.50) PDE10AALDH1A1HPGDRECQLMAPT
SCHEMBL1608814 0.82 PDE10A (0.43) PDE10AMEN1KMT2AMAPT
SCHEMBL1609302 0.82 PDE10A (0.43) PDE10AALDH1A1HSD17B10
SCHEMBL1610254 0.82 PDE10A (0.43) PDE10AMEN1KMT2AMAPT
SCHEMBL1611032 0.82 PDE10A (0.43) PDE10AALDH1A1SMN1; SMN2HTTHSD17B10
SCHEMBL1608985 0.82 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2MEN1KMT2A

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 PDE10A 1704/4885LMNA 4805/4885ALDH1A1 1562/4885

“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.