SCHEMBL117199

SCHEMBL117199

COC(=O)c1cccc2nc(Cl)sc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.53
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 5/20 0.44
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.40
CFTR P13569 1/20 0.40
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL6112936 0.84 TSHR (0.50) ILKKDM4EKMT2AGAAALDH1A1
SCHEMBL543966 0.83 ILK (0.57) ILKKDM4EKMT2AATMGAA
SCHEMBL19783237 0.83 ILK (0.54) ILKKDM4EKMT2AATMGAA
SCHEMBL30189672 0.83 ILK (0.54) ILKKDM4EKMT2AATMGAA
SCHEMBL984327 0.82 ILK (0.59) ILKKDM4EKMT2AATMGAA
SCHEMBL20969720 0.81 ALDH1A1 (0.46) KDM4EKMT2AGAAALDH1A1PPARG
SCHEMBL21685755 0.79 ILK (0.51) ILKKDM4EKMT2AATMGAA
SCHEMBL29226750 0.78 ILK (0.59) ILKKDM4EKMT2AGAAALDH1A1
SCHEMBL1936413 0.76 ALDH1A1 (0.56) KDM4EKMT2AATMGAAALDH1A1
SCHEMBL21684609 0.75 ILK (0.45) ILKKDM4EKMT2AATMGAA

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 ILK 4834/4885KDM4E 237/4885KMT2A 1088/4885

“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.