SCHEMBL167960

SCHEMBL167960

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.32
CRBN Q96SW2 4/20 0.31
DDB1 Q16531 2/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 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
SCHEMBL177961 0.87 ITGAL (0.30) ITGALCRBNDDB1
SCHEMBL6113104 0.85 SCD (0.33) ITGALCRBNDDB1
SCHEMBL168874 0.85 ITGAL (0.45) ITGALCRBNDDB1NPC1RAB9A
SCHEMBL166858 0.85 ITGAL (0.39) ITGALCRBNDDB1NPC1RAB9A
SCHEMBL168799 0.83 ITGAL (0.35) ITGALNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6113318 0.82 ITGAL (0.39) ITGALCRBNNPC1RAB9ASMN1; SMN2
SCHEMBL6112955 0.80 TSHR (0.35) ITGALNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8406404 0.80 MAPT (0.35) ITGALMAPT
SCHEMBL2857196 0.80 CRBN (0.31) CRBNDDB1NPC1RAB9ASMN1; SMN2
SCHEMBL6113075 0.80 ITGAL (0.38) ITGALNPC1RAB9ASMN1; SMN2

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
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
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
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 3507/4885CRBN 2617/4885DDB1 4055/4885

“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.