SCHEMBL3307472

SCHEMBL3307472

COC(=O)CC(Nc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
PGR P06401 3/20 0.52
AR P10275 3/20 0.52
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.47
EGFR P00533 1/20 0.47
ALOX5 P09917 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
CTSV O60911 1/20 0.46

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
SCHEMBL3308208 0.82 ALDH1A1 (0.55) KMT2AMEN1GAALMNAMAPT
SCHEMBL13668036 0.81 CA1 (0.53) KMT2AMEN1GAALMNAMAPT
SCHEMBL13395857 0.81 CA1 (0.55) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL13395859 0.79 THRB (0.48) KMT2AMEN1GAALMNAMAPT
SCHEMBL3306459 0.79 ALDH1A1 (0.49) KMT2AGAALMNAMAPTALDH1A1
SCHEMBL28985111 0.78 NPC1 (0.51) KMT2AMEN1GAALMNAMAPT
SCHEMBL20699783 0.78 MEN1 (0.51) KMT2AMEN1GAALMNAPGR
SCHEMBL20699782 0.78 MEN1 (0.51) KMT2AMEN1GAALMNAPGR
SCHEMBL15325818 0.78 ALDH1A1 (0.60) KMT2AMEN1GAALMNAMAPT
SCHEMBL15003946 0.78 ALDH1A1 (0.60) KMT2AMEN1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099886-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β-AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH 2010-04-22 US disclosed
US-20100099886-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β-AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH 2010-04-22 US disclosed
EP-2139873-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF ß-AMINO ACID ESTER DERIVATIVE Agency for Science, Technology and Research (SG) 2010-01-06 EP disclosed
WO-2008115149-A9 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-15 WO disclosed
WO-2008115149-A9 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-15 WO disclosed
WO-2008115149-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 WO disclosed
WO-2008115149-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 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-20100099886-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β-AMINO ACID ESTER DERIVATIVE DDC, NDC1, ADH1C KMT2A 1659/4885MEN1 3691/4885GAA 2711/4885

“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.