SCHEMBL16401003

SCHEMBL16401003

CCc1cccnc1NC(=O)NS/N=C/c1ccc2c(ccc3c2nnn3-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
PDE2A O00408 1/20 0.30
DHODH Q02127 1/20 0.30
GSK3B P49841 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
SCHEMBL16401124 0.90 L3MBTL1 (0.34) P2RY1L3MBTL1SMN1; SMN2SLC5A1SLC5A2
SCHEMBL16400833 0.90 P2RY1 (0.34) P2RY1BCHEACHEBACE1SMN1; SMN2
SCHEMBL16400845 0.88 L3MBTL1 (0.34) P2RY1L3MBTL1SMN1; SMN2MAPTSLC5A1
SCHEMBL16401006 0.85 BCHE (0.37) P2RY1L3MBTL1BCHEACHEBACE1
SCHEMBL16401004 0.85 BCHE (0.37) P2RY1L3MBTL1BCHEACHEBACE1
SCHEMBL19304575 0.85 L3MBTL1 (0.34) P2RY1L3MBTL1SLC5A1SLC5A2
SCHEMBL16401852 0.83 GCGR (0.34) P2RY1L3MBTL1SMN1; SMN2
SCHEMBL16400863 0.82 CHRNA7 (0.39) P2RY1L3MBTL1
SCHEMBL17798961 0.81 NPC1 (0.34) P2RY1BCHEACHEBACE1SMN1; SMN2
SCHEMBL16401265 0.81 PPARD (0.34) P2RY1SMN1; SMN2MAPTGSK3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP claimed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US claimed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US claimed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP claimed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO claimed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 P2RY1 1306/4885L3MBTL1 705/4885BCHE 98/4885

“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.