SCHEMBL168799

SCHEMBL168799

O=C(O)Nc1cccc2nc(N3CCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.35
KCNJ6 P48051 2/20 0.35
KCNJ5 P48544 2/20 0.35
KCNJ3 P48549 2/20 0.35
MAPT P10636 5/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GALR3 O60755 1/20 0.32
GAA P10253 1/20 0.32
NR2F2 P24468 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
SCHEMBL6112955 0.90 TSHR (0.35) ITGALMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL8406378 0.88 RXFP1 (0.35) ITGALMAPTTP53RAB9ANPC1
SCHEMBL168874 0.87 ITGAL (0.45) ITGALKCNJ6KCNJ5KCNJ3MAPT
SCHEMBL166858 0.85 ITGAL (0.39) ITGALKCNJ6KCNJ5KCNJ3MAPT
SCHEMBL6113318 0.84 ITGAL (0.39) ITGALMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL167960 0.83 ITGAL (0.32) ITGALMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8406404 0.83 MAPT (0.35) ITGALMAPTLMNANPSR1
SCHEMBL6113104 0.83 SCD (0.33) ITGAL
SCHEMBL6113075 0.82 ITGAL (0.38) ITGALSMN1; SMN2RAB9ANPC1KIF18A
SCHEMBL178196 0.81 MAPT (0.34) ITGALMAPTLMNARAB9ANPC1

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 3 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
EP-2424838-A1 PESTICIDAL ARYLPYRROLIDINES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO 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 ITGAL 3507/4885KCNJ6 306/4885KCNJ5 208/4885

“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.