SCHEMBL1609858

SCHEMBL1609858

COC(=O)c1nc(C2CC2)nc(NCc2cc3cc(Br)ccc3o2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.39
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.34
CTSC P53634 1/20 0.34
POLB P06746 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1610033 0.83 PDE10A (0.41) PDE10AALDH1A1RAB9ANPC1
SCHEMBL1610061 0.82 PDE10A (0.43) PDE10AHTT
SCHEMBL1609641 0.80 PDE10A (0.47) PDE10A
SCHEMBL1608908 0.78 ALDH1A1 (0.43) PDE10AALDH1A1POLBUSP2HTT
SCHEMBL1609859 0.77 RAB9A (0.36) ALDH1A1RAB9ANPC1L3MBTL1POLB
SCHEMBL12713266 0.76 PDE10A (0.42) PDE10AALDH1A1
SCHEMBL1609068 0.76 PDE10A (0.44) PDE10AALDH1A1
SCHEMBL1609687 0.75 PDE10A (0.45) PDE10AALDH1A1
SCHEMBL1609704 0.75 PDE10A (0.62) PDE10AALDH1A1
SCHEMBL1609147 0.75 PDE10A (0.50) PDE10AALDH1A1

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 PDE10A 1704/4885ALDH1A1 1562/4885RAB9A 3012/4885

“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.