SCHEMBL2154335

SCHEMBL2154335

CN(C)C(=O)C(=NO)c1ccccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.51
TSPO P30536 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.45
TSHR P16473 5/20 0.44
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL2154330 1.00 CTNNB1 (0.51) CTNNB1TSPOMAPTLMNARAB9A
SCHEMBL8370658 0.86 CTNNB1 (0.49) CTNNB1TSPOMAPTLMNARAB9A
SCHEMBL8370657 0.86 CTNNB1 (0.49) CTNNB1TSPOMAPTLMNARAB9A
SCHEMBL8923077 0.83 CTNNB1 (0.59) CTNNB1MAPTLMNARAB9ATSHR
SCHEMBL8923090 0.83 CTNNB1 (0.59) CTNNB1MAPTLMNARAB9ATSHR
SCHEMBL8301449 0.81 CTNNB1 (0.53) CTNNB1MAPTLMNARAB9ATSHR
SCHEMBL8759289 0.81 CTNNB1 (0.53) CTNNB1MAPTLMNARAB9ATSHR
SCHEMBL8848719 0.80 CTNNB1 (0.65) CTNNB1MAPTLMNARAB9ATSHR
SCHEMBL8848690 0.80 CTNNB1 (0.65) CTNNB1MAPTLMNARAB9ATSHR
SCHEMBL8848694 0.80 CTNNB1 (0.65) CTNNB1MAPTLMNARAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-02-14 US claimed
EP-2519502-A2 FUNGICIDAL HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP claimed
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO claimed
US-9000012-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-04-07 US disclosed
US-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-02-14 US disclosed
EP-2519502-A2 FUNGICIDAL HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP disclosed
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 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-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 CTNNB1 4540/4885TSPO 2034/4885MAPT 3392/4885

“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.