SCHEMBL1611032

SCHEMBL1611032

COC(=O)c1nc(C2CC2)nc(NC(Cc2ccccc2)c2ccccc2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1609871 0.90 EGFR (0.39) PDE10ASMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL1611523 0.90 EGFR (0.39) PDE10ASMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL1609732 0.90 PDE10A (0.39) PDE10ASMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL1610144 0.90 EGFR (0.39) PDE10ASMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL12738485 0.87 PDE10A (0.43) PDE10AALDH1A1
SCHEMBL1609946 0.86 PDE10A (0.37) PDE10ASMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL1609302 0.86 PDE10A (0.43) PDE10AALDH1A1TSHRL3MBTL1CYP3A4
SCHEMBL1608814 0.86 PDE10A (0.43) PDE10ATSHRMAPK1KDM4ECHRM3
SCHEMBL1610254 0.86 PDE10A (0.43) PDE10ATSHRMAPK1KDM4ECHRM3
SCHEMBL1609362 0.85 PDE10A (0.40) PDE10ASMN1; SMN2ALDH1A1TSHRMAPK1

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 1704/4885SMN1; SMN2 2654/4885HTT 1789/4885

“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.