SCHEMBL3530264

SCHEMBL3530264

CC(C(=O)O)(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
CES1 P23141 2/20 0.48
HSD11B1 P28845 1/20 0.47
CES2 O00748 1/20 0.47
SRD5A2 P31213 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 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
SCHEMBL27890350 0.87 ALDH1A1 (0.60) TDP1MAPK1ALDH1A1POLBHSD11B1
SCHEMBL1646651 0.85 TDP1 (0.52) TDP1MAPK1ALDH1A1POLBCES1
SCHEMBL7912766 0.85 TDP1 (0.52) TDP1MAPK1ALDH1A1POLBCES1
SCHEMBL10937260 0.83 CA1 (0.53) TDP1MAPK1ALDH1A1POLBCES1
SCHEMBL4060805 0.83 HSD11B1 (0.50) TDP1MAPK1ALDH1A1POLBCES1
SCHEMBL27901118 0.83 ALDH1A1 (0.52) ALDH1A1POLBKDM4ECYP2C19LMNA
SCHEMBL1648359 0.81 TDP1 (0.48) TDP1MAPK1ALDH1A1POLBCES1
SCHEMBL6810221 0.80 CES1 (0.51) TDP1MAPK1ALDH1A1POLBCES1
SCHEMBL6810140 0.80 CES1 (0.51) TDP1MAPK1ALDH1A1POLBCES1
SCHEMBL3528826 0.80 ALDH1A1 (0.65) MAPK1ALDH1A1POLBCES1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759366-B2 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2009-08-27 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-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use GPR119, GIPR, LIPC TDP1 3400/4885MAPK1 2576/4885ALDH1A1 193/4885

“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.