SCHEMBL1610229

SCHEMBL1610229

COC(=O)c1nc(C2CC2)nc(N(C)c2cccc(F)c2F)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.34
PTGIR P43119 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PDE4D Q08499 3/20 0.31
CHRM3 P20309 2/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
RBP4 P02753 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL1610512 0.85 SLC6A3 (0.33) SLC6A3PDE4DTUBB4ATUBBTUBA3C
SCHEMBL1608874 0.85 SLC6A3 (0.39) SLC6A3LMNAMAPTPDE4ATSHR
SCHEMBL1609761 0.84 RXRA (0.36) SLC6A3LMNAPDE4DCHRM3PDE4A
SCHEMBL1609825 0.84 PDE10A (0.31) SLC6A3ALDH1A1
SCHEMBL1610985 0.84 SLC6A3 (0.36) SLC6A3PDE4DPDE4APDE4BPDE4C
SCHEMBL1609254 0.84 NTSR1 (0.34) SLC6A3TP53MAPTTSHRMAPK1
SCHEMBL1610295 0.84 PSEN1 (0.36) SLC6A3TP53MAPTALDH1A1
SCHEMBL1609071 0.83 SLC6A3 (0.33) SLC6A3LMNAMAPTPDE4DCHRM3
SCHEMBL1610302 0.83 NTSR1 (0.38) SLC6A3TP53PDE4DPDE4ATSHR
SCHEMBL1609778 0.83 RBP4 (0.37) MAPTRBP4TSHRTUBB4ATUBB

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 1 patent. 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

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 SLC6A3 2437/4885PTGIR 2034/4885LMNA 4805/4885

“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.