SCHEMBL3530965

SCHEMBL3530965

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.43
CES1 P23141 1/20 0.43
NR1D1 P20393 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28359072 0.87 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNACYP2C19
SCHEMBL3528826 0.85 ALDH1A1 (0.65) ALDH1A1POLBMAPTCYP2C19MAPK1
SCHEMBL664917 0.81 ALDH1A1 (0.56) ALDH1A1POLBMAPTLMNACYP2C19
SCHEMBL3530264 0.79 TDP1 (0.52) ALDH1A1POLBLMNACYP2C19MAPK1
SCHEMBL13172617 0.78 ALDH1A1 (0.60) ALDH1A1POLBMAPTCYP2C19MAPK1
SCHEMBL27890350 0.78 ALDH1A1 (0.60) ALDH1A1POLBMAPTCYP2C19MAPK1
SCHEMBL10937260 0.77 CA1 (0.53) ALDH1A1POLBMAPTCYP2C19MAPK1
SCHEMBL530087 0.76 ALDH1A1 (0.48) ALDH1A1POLBMAPTLMNACYP2C19
SCHEMBL2616111 0.76 MAPK1 (0.56) ALDH1A1POLBMAPTLMNAMAPK1
SCHEMBL7607688 0.76 MAPK1 (0.52) ALDH1A1POLBMAPTLMNAMAPK1

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 5 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
CN-101501005-A Arylaminoaryl-alkyl-substituted imidazolidine-2, 4-diones, processes for their preparation, medicaments comprising these compounds and their use SANOFI AVENTIS (FR) 2009-08-05 CN disclosed
EP-2061767-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE Sanofi-Aventis (FR) 2009-05-27 EP disclosed
WO-2008017381-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE SANOFI-AVENTIS (FR) 2008-02-14 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-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use GPR119, GIPR, LIPC ALDH1A1 193/4885POLB 3520/4885MAPT 4829/4885

“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.