SCHEMBL4237391

SCHEMBL4237391

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
BRD4 O60885 2/20 0.37
LATS1 O95835 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
GSK3A P49840 1/20 0.34

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 0.77 ALDH1A1 (0.51) TDP1MEN1GAAKMT2ANR1I2
SCHEMBL23165970 0.75 MALT1 (0.44) BCHEADORA2AADORA3ADORA1MALT1
SCHEMBL4231751 0.74 MAPT (0.41) TDP1MEN1KMT2ANPSR1NR1I2
SCHEMBL17563733 0.73 STK17B (0.51) BCHEADORA2AADORA3ADORA1MALT1
SCHEMBL14622097 0.73 MAPT (0.36) MEN1KMT2AHTTNPSR1NR1I2
SCHEMBL4231251 0.72 TOP2A (0.41) MEN1KMT2ANR1I2AHRGSK3A
SCHEMBL3408429 0.72 TXNRD1 (0.47) BCHEMALT1BRD4LATS1STK17B
SCHEMBL5030437 0.72 POLB (0.41) BCHEADORA2AADORA3MALT1BRD4
SCHEMBL31436060 0.71 STK17B (0.58) BCHEADORA2AADORA1BRD4TDP1
SCHEMBL4236186 0.71 GSK3A (0.38) MEN1GAAKMT2AHTTNR1I2

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 1 patent. 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

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 BCHE 694/4885ADORA2A 2397/4885ADORA3 1841/4885

“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.