SCHEMBL4233376

SCHEMBL4233376

COc1nc(NCCNC(=O)O)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 7/20 0.36
POLB P06746 3/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 4/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDCD1 Q15116 1/20 0.33

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
SCHEMBL4237391 0.83 BCHE (0.41) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4236100 0.82 ALDH1A1 (0.51) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4231251 0.80 TOP2A (0.41) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4240263 0.80 ALDH1A1 (0.40) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4237910 0.80 NR1I2 (0.40) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4231751 0.79 MAPT (0.41) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4231928 0.77 ALDH1A1 (0.46) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4238515 0.76 MAPT (0.42) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL4227995 0.76 ALDH1A1 (0.38) NR1I2AHRGSK3AGSK3BCDK5
SCHEMBL14086975 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A

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 NR1I2 253/4885AHR 151/4885GSK3A 4636/4885

“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.