SCHEMBL6794802

SCHEMBL6794802

Cc1ccc(C=C2N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
DAPK3 O43293 4/20 0.53
NOTUM Q6P988 1/20 0.52
MAPK1 P28482 1/20 0.50
NFE2L2 Q16236 1/20 0.49
MAPT P10636 3/20 0.48
PLCG2 P16885 2/20 0.47
ALOX5 P09917 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 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
SCHEMBL6794799 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6795374 0.88 ALOX5 (0.61) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6795379 0.88 ALOX5 (0.61) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6795727 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6794063 0.88 MEN1 (0.50) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6795730 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6794067 0.88 MEN1 (0.50) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL15347299 0.88 MEN1 (0.50) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6796899 0.87 DAPK3 (0.58) ALDH1A1KDM4EPOLBDAPK3NOTUM
SCHEMBL6796902 0.87 DAPK3 (0.58) ALDH1A1KDM4EPOLBDAPK3NOTUM

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 ALDH1A1 905/4885KDM4E 4805/4885POLB 2537/4885

“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.