SCHEMBL1208294

SCHEMBL1208294

CC(C)CC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
KDM4E B2RXH2 6/20 0.60
TDP1 Q9NUW8 4/20 0.60
MAPT P10636 4/20 0.60
CYP2C19 P33261 1/20 0.58
CTSD P07339 1/20 0.57
ALPL P05186 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 3/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL1207037 0.84 ALDH1A1 (0.76) ALDH1A1KDM4ETDP1MAPTCTSD
SCHEMBL1207169 0.82 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1MAPTCTSD
SCHEMBL6769572 0.81 ALDH1A1 (0.76) ALDH1A1KDM4ETDP1MAPTCTSD
SCHEMBL1207177 0.81 ALDH1A1 (0.76) ALDH1A1KDM4ETDP1MAPTCTSD
SCHEMBL1668048 0.80 CTSD (0.64) ALDH1A1KDM4ETDP1MAPTCYP2C19
SCHEMBL1208462 0.79 ALDH1A1 (0.83) ALDH1A1KDM4ETDP1MAPTCTSD
SCHEMBL8204835 0.79 CTSD (0.54) ALDH1A1KDM4ETDP1MAPTCYP2C19
SCHEMBL3058340 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1MAPTCYP2C19
SCHEMBL6453064 0.78 ALDH1A1 (0.81) ALDH1A1KDM4ETDP1MAPTCTSD
SCHEMBL15997924 0.77 ALDH1A1 (0.80) ALDH1A1KDM4ETDP1MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
EP-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 EP disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 871/4885KDM4E 1780/4885TDP1 1199/4885

“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.