SCHEMBL8406404

SCHEMBL8406404

CC(=O)NCc1cccc2nc(N3CCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)sc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
ITGAL P20701 1/20 0.35
ACACB O00763 4/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
EPHX2 P34913 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NAAA Q02083 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL178196 0.93 MAPT (0.34) MAPTPOLBITGALACACBKDM4E
SCHEMBL6113104 0.87 SCD (0.33) ITGAL
SCHEMBL177961 0.85 ITGAL (0.30) ITGAL
SCHEMBL6113075 0.84 ITGAL (0.38) ITGALACACBNAAA
SCHEMBL6112955 0.83 TSHR (0.35) MAPTPOLBITGALACACBKDM4E
SCHEMBL6113318 0.83 ITGAL (0.39) MAPTITGALACACBKDM4ENAAA
SCHEMBL168799 0.83 ITGAL (0.35) MAPTITGALLMNANPSR1
SCHEMBL166858 0.83 ITGAL (0.39) MAPTITGALNAAA
SCHEMBL168874 0.83 ITGAL (0.45) MAPTITGALKDM4ENR1H4NAAA
SCHEMBL28025344 0.81 SETDB1 (0.40) EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR MAPT 4101/4885POLB 4780/4885ITGAL 3507/4885

“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.