SCHEMBL1610306

SCHEMBL1610306

COC(=O)c1nc(C2CC2)nc(NCCSCc2ccccc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
PDE10A Q9Y233 3/20 0.44
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL1609849 0.87 MAPT (0.41) PLAUPDE10AALDH1A1HPGDCYP1A2
SCHEMBL1609426 0.87 PDE10A (0.48) PLAUPDE10AALDH1A1HPGDSMN1; SMN2
SCHEMBL1608985 0.85 PDE10A (0.47) PLAUPDE10AALDH1A1KMT2ASMN1; SMN2
SCHEMBL1609704 0.84 PDE10A (0.62) PLAUPDE10AALDH1A1HPGDCYP1A2
SCHEMBL1610108 0.84 PDE10A (0.46) PDE10AALDH1A1HPGDKMT2ACHRM3
SCHEMBL1610344 0.83 PDE10A (0.44) PDE10AALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL1610415 0.82 PDE10A (0.43) PLAUPDE10AALDH1A1HPGDKMT2A
SCHEMBL1610458 0.81 PDE10A (0.39) PDE10AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1610314 0.79 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL1610456 0.79 TSHR (0.37) PLAUPDE10AALDH1A1HPGDCYP1A2

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 PLAU 4823/4885PDE10A 1704/4885ALDH1A1 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.