SCHEMBL4854048

SCHEMBL4854048

N/C=C/NCc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 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
SCHEMBL4854061 1.00 KDM4E (0.51) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL18685673 0.80 KDM4E (0.45) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL888506 0.79 GAA (0.54) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL7783116 0.79 KDM4E (0.54) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL18884421 0.76 GAA (0.59) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL9279836 0.75 GAA (0.63) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL18567120 0.73 L3MBTL1 (0.42) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL2125695 0.72 KDM4E (0.59) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL29609117 0.72 KDM4E (0.59) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL28000928 0.72 KDM4E (0.59) KDM4EGAAL3MBTL1MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332512-B2 Halogenated nitrobutadienes for controlling animal pests BAYER CROPSCIENCE AG (DE) 2008-02-19 US disclosed
US-20050080272-A1 Halogenated nitrobutadienes for controlling animal pests BAYER CROPSCIENCE AG (DE) 2005-04-14 US disclosed
EP-1444221-A1 HALOGENATED NITROBUTADIENES FOR CONTROLLING ANIMAL PESTS Bayer CropScience AG (DE) 2004-08-11 EP disclosed
WO-2003040129-A1 HALOGENATED NITROBUTADIENES FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-05-15 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-20050080272-A1 Halogenated nitrobutadienes for controlling animal pests HDHD5, OTUB1, CBR3 KDM4E 3135/4885GAA 4112/4885L3MBTL1 15/4885

“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.