SCHEMBL168874

SCHEMBL168874

O=C(O)c1cccc2nc(N3CCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)sc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.45
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NAAA Q02083 2/20 0.34
NR1H4 Q96RI1 4/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MLYCD O95822 2/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 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
SCHEMBL166858 0.93 ITGAL (0.39) ITGALALDH1A1MEN1HPGDKMT2A
SCHEMBL6113318 0.89 ITGAL (0.39) ITGALKMT2ANAAAKDM4EMAPT
SCHEMBL168799 0.87 ITGAL (0.35) ITGALALDH1A1MEN1HPGDKMT2A
SCHEMBL6113075 0.87 ITGAL (0.38) ITGALNAAANPC1RAB9A
SCHEMBL6112955 0.83 TSHR (0.35) ITGALALDH1A1MEN1HPGDKMT2A
SCHEMBL2857196 0.77 CRBN (0.31) MAPTDDB1CRBNNPC1RAB9A
SCHEMBL540032 0.72 NOTUM (0.39)
SCHEMBL14844514 0.71 ACLY (0.37) KCNJ6KCNJ5KCNJ3
SCHEMBL539838 0.71 RXRA (0.38) MEN1KMT2AKDM4EMLYCDKCNJ6
SCHEMBL5110960 0.70 ALDH1A1 (0.56) ALDH1A1MEN1HPGDKMT2ANAAA

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 3507/4885ALDH1A1 103/4885MEN1 3664/4885

“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.