SCHEMBL19783871

SCHEMBL19783871

Cn1[nH]c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.51
GSK3A P49840 4/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
HPGD P15428 6/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.46
PRKCA P17252 1/20 0.45
DAO P14920 1/20 0.45
LGMN Q99538 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL19783979 0.84 MAPT (0.49) HPGDKDM4ESMN1; SMN2KMT2ADAO
SCHEMBL19783302 0.84 MEN1 (0.47) HPGDKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL5201520 0.82 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8486708 0.81 MAPK1 (0.49) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL19784136 0.80 KMT2A (0.57) CYP3A4ALDH1A1SMN1; SMN2KMT2ADAO
SCHEMBL38658744 0.79 KMT2A (0.56) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL24327924 0.77 PGR (0.49) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL8985073 0.76 GSK3B (0.67) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL5205919 0.76 LMNA (0.47) KMT2AMEN1HTT
SCHEMBL3940708 0.75 HPGD (0.64) GSK3BGSK3ACCNB2CDK1CCNB1

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
CN-110483660-B Traditional Chinese medicine grub glucan and application thereof 西北农林科技大学 2021-03-30 CN disclosed
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
US-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-03 US disclosed
US-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-03 US disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 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-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES DDT, BCHE, ACHE GSK3B 2915/4885GSK3A 2950/4885CCNB2 1715/4885

“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.