SCHEMBL11913409

SCHEMBL11913409

C/C=C\c1c(NCc2ncccc2Cl)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.37
PDE4D Q08499 4/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
SCN9A Q15858 1/20 0.34
BDKRB1 P46663 2/20 0.33
CNR2 P34972 3/20 0.33
CYP1A2 P05177 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
KMO O15229 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSA P10619 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL11913401 0.88 PDE4D (0.37) ACLYPDE4DPDE4APDE4BPDE4C
SCHEMBL11913407 0.86 ALDH1A1 (0.41) ACLYPDE4DCYP1A2ALDH1A1MAPK1
SCHEMBL2683381 0.84 ACLY (0.37) ACLYPDE4DPDE4APDE4BPDE4C
SCHEMBL11913405 0.83 APP (0.40) ALDH1A1
SCHEMBL11913408 0.81 ALDH1A1 (0.44) CYP1A2ALDH1A1MAPK1
SCHEMBL11913406 0.81 PI4KB (0.37) PDE4DSCN9ACNR2CYP1A2
SCHEMBL2684428 0.81 ADORA2A (0.37) ACLYPDE4DPDE4APDE4BPDE4C
SCHEMBL12786060 0.77 ALDH1A1 (0.43) ACLYPDE4DCYP1A2ALDH1A1MAPK1
SCHEMBL11902674 0.77 ALDH1A1 (0.43) ACLYPDE4DCYP1A2ALDH1A1MAPK1
SCHEMBL11902676 0.77 ALDH1A1 (0.43) ACLYPDE4DCYP1A2ALDH1A1MAPK1

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ACLY 537/4885PDE4D 3019/4885PDE4A 2477/4885

“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.