SCHEMBL3920784

SCHEMBL3920784

COc1ccc(O)c(O)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL29032544 0.87 TDP1 (0.53) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL2129897 0.81 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL31143111 0.81 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL21487389 0.81 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL8950203 0.81 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL29396391 0.81 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL1179747 0.81 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL29652066 0.79 GPR35 (0.54) L3MBTL1HIF1AALDH1A1MAPK1TP53
SCHEMBL12758941 0.79 TDP1 (0.49) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL27773251 0.79 ERN1 (0.56) TDP1KDM4EPOLBCTDSP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (2 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD TDP1 4702/4885KDM4E 2426/4885POLB 2893/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD TDP1 4675/4885KDM4E 2460/4885POLB 2667/4885

“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.