SCHEMBL4240263

SCHEMBL4240263

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.37
POLB P06746 3/20 0.37
RAD52 P43351 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.36
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
NCEH1 Q6PIU2 1/20 0.32

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
SCHEMBL4231928 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKMT2APOLBRAD52
SCHEMBL13743286 0.84 ALDH1A1 (0.36) ALDH1A1MAPTKMT2APOLBRAD52
SCHEMBL4233359 0.81 GAA (0.33) ALDH1A1KMT2ARAD52SMN1; SMN2
SCHEMBL4233376 0.80 NR1I2 (0.37) ALDH1A1MAPTKMT2APOLBRAD52
SCHEMBL14086975 0.80 ALDH1A1 (0.56) ALDH1A1MAPTKMT2APOLBRAD52
SCHEMBL4236100 0.79 ALDH1A1 (0.51) ALDH1A1MAPTKMT2APOLBATM
SCHEMBL4237910 0.76 NR1I2 (0.40) ALDH1A1MAPTKMT2APOLBRAD52
SCHEMBL4231251 0.74 TOP2A (0.41) ALDH1A1MAPTKMT2ANR1I2AHR
SCHEMBL4238515 0.73 MAPT (0.42) ALDH1A1MAPTKMT2APOLBRAD52
SCHEMBL4227995 0.73 ALDH1A1 (0.38) ALDH1A1MAPTKMT2APOLBRAD52

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 ALDH1A1 4595/4885MAPT 4754/4885KMT2A 1474/4885

“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.