SCHEMBL4236186

SCHEMBL4236186

COc1nc(NC[CH]C(C)(C)C)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
NR1I2 O75469 1/20 0.31
AHR P35869 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL4236100 0.75 ALDH1A1 (0.51) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
SCHEMBL4237910 0.75 NR1I2 (0.40) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
SCHEMBL4233139 0.73 ALDH1A1 (0.36) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
SCHEMBL14086979 0.73 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL4231928 0.72 ALDH1A1 (0.46) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
SCHEMBL4227995 0.71 ALDH1A1 (0.38) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
SCHEMBL4231751 0.71 MAPT (0.41) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
SCHEMBL14622097 0.71 MAPT (0.36) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2
SCHEMBL4237391 0.71 BCHE (0.41) GSK3AGSK3BALDH1A1MEN1HTT
SCHEMBL4227297 0.70 CA1 (0.41) GSK3AGSK3BMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR GSK3A 4636/4885GSK3B 4368/4885MAPT 4754/4885

“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.