SCHEMBL6796902

SCHEMBL6796902

O=C1OC(c2cccc([N+](=O)[O-])c2)=NC1=Cc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 10/20 0.58
PLCG2 P16885 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NOTUM Q6P988 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL6796899 1.00 DAPK3 (0.58) DAPK3PLCG2KDM4ENOTUMMAPT
SCHEMBL6794802 0.87 ALDH1A1 (0.59) DAPK3PLCG2KDM4ENOTUMMAPT
SCHEMBL6795379 0.87 ALOX5 (0.61) DAPK3PLCG2KDM4ENOTUMMAPT
SCHEMBL6794799 0.87 ALDH1A1 (0.59) DAPK3PLCG2KDM4ENOTUMMAPT
SCHEMBL6795374 0.87 ALOX5 (0.61) DAPK3PLCG2KDM4ENOTUMMAPT
SCHEMBL6794063 0.84 MEN1 (0.50) DAPK3PLCG2KDM4ENOTUMMAPT
SCHEMBL6795730 0.84 ALDH1A1 (0.61) DAPK3KDM4ENOTUMMAPTNPC1
SCHEMBL6795727 0.84 ALDH1A1 (0.61) DAPK3KDM4ENOTUMMAPTNPC1
SCHEMBL6794067 0.84 MEN1 (0.50) DAPK3PLCG2KDM4ENOTUMMAPT
SCHEMBL15347299 0.84 MEN1 (0.50) DAPK3PLCG2KDM4ENOTUMMAPT

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-20040180943-A1 Oxazolone analogs as amyloid aggregation inhibitors and for the treatment of alzheimer's disease and disorders related to amyloidosis WARNER-LAMBERT COMPANY LLC 2004-09-16 US claimed

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-20040180943-A1 Oxazolone analogs as amyloid aggregation inhibitors and for the treatment of alzheimer's disease and disorders related to amyloidosis APP, PSEN1, PSEN2 DAPK3 1049/4885PLCG2 4365/4885KDM4E 4805/4885

“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.