SCHEMBL4233139

SCHEMBL4233139

COc1nc(NCCO[Si](C)(C)C(C)(C)C)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 8/20 0.34
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 4/20 0.32
APAF1 O14727 1/20 0.32
GAA P10253 1/20 0.32
RAD52 P43351 2/20 0.31
BLM P54132 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4227494 0.80 KCNH3 (0.31)
SCHEMBL4237388 0.77 NR1I2 (0.34) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL4236100 0.76 ALDH1A1 (0.51) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL4237910 0.76 NR1I2 (0.40) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL13752395 0.75 MAPT (0.38) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL14622097 0.75 MAPT (0.36) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL4231928 0.74 ALDH1A1 (0.46) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL4227995 0.73 ALDH1A1 (0.38) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL4236186 0.73 GSK3A (0.38) ALDH1A1MAPTNR1I2AHRGSK3A
SCHEMBL4231751 0.73 MAPT (0.41) ALDH1A1MAPTNR1I2AHRGSK3A

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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
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 ALDH1A1 4595/4885MAPT 4754/4885NR1I2 253/4885

“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.