SCHEMBL1207856

SCHEMBL1207856

CC(O)CNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.62
ALDH1A1 P00352 5/20 0.61
HPGD P15428 2/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
ALPL P05186 1/20 0.50
GAA P10253 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50

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
SCHEMBL1668048 0.89 CTSD (0.64) CTSDALDH1A1HPGDHTTLMNA
SCHEMBL16190200 0.84 CTSD (0.60) CTSDALDH1A1HPGDHTTLMNA
SCHEMBL21185859 0.84 KDM4E (0.57) HTTKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL13753006 0.83 CTSD (0.68) CTSDALDH1A1HPGDHTTLMNA
SCHEMBL28800926 0.82 CTSD (0.55) CTSDALDH1A1HPGDHTTLMNA
SCHEMBL8026101 0.81 ALDH1A1 (0.65) CTSDALDH1A1HTTLMNAKDM4E
SCHEMBL10602289 0.81 CTSD (0.70) CTSDALDH1A1HPGDHTTLMNA
SCHEMBL21055082 0.80 ATM (0.60) CTSDALDH1A1HPGDHTTLMNA
SCHEMBL1206956 0.80 CTSD (0.64) CTSDALDH1A1HPGDHTTLMNA
SCHEMBL13753116 0.80 CTSD (0.64) CTSDALDH1A1HPGDHTTLMNA

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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
CN-101918371-A Amide derivatives as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2010-12-15 CN 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 CTSD 2170/4885ALDH1A1 871/4885HPGD 250/4885

“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.