SCHEMBL16401042

SCHEMBL16401042

Cn1nc2c(ccc3cc(/C=N/SNC(=O)Nc4ncccc4I)ccc32)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM5A P29375 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
P2RY1 P47900 1/20 0.32
SLC34A1 Q06495 2/20 0.31
HTR2A P28223 1/20 0.31
TP53 P04637 1/20 0.31
DHODH Q02127 1/20 0.31
ABL1 P00519 1/20 0.30
GSK3B P49841 1/20 0.30
F9 P00740 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
SCHEMBL16400927 0.92 TRPV1 (0.38) MAPTTRPV1KDM5AKDM2BKDM4C
SCHEMBL16401073 0.85 HTR2A (0.34) MAPTTRPV1HTR2A
SCHEMBL16400619 0.84 TTK (0.34) MAPTTRPV1P2RY1HTR2ATP53
SCHEMBL16400271 0.84 HTR2A (0.34) MAPTKDM5AKDM2BKDM4CKDM5B
SCHEMBL16401578 0.84 HTR2A (0.38) MAPTTRPV1KDM5AKDM2BKDM4C
SCHEMBL16401045 0.84 MAPT (0.37) MAPTTRPV1BCHEACHEBACE1
SCHEMBL16401047 0.84 MAPT (0.37) MAPTTRPV1BCHEACHEBACE1
SCHEMBL16400798 0.82 CHRNA7 (0.39) MAPTHTR2A
SCHEMBL16400162 0.82 GCGR (0.33) MAPTP2RY1HTR2A
SCHEMBL16401400 0.82 PTPRC (0.33) MAPTP2RY1HTR2ATP53

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 MAPT 782/4885TRPV1 1547/4885KDM5A 2228/4885

“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.