SCHEMBL11905342

SCHEMBL11905342

CC(C)NC(=O)CNC(=O)c1cc(N2CC3CN(C(=O)O)CC3C2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.46
FAAH O00519 2/20 0.44
MGLL Q99685 2/20 0.44
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 8/20 0.39
HTT P42858 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.37
NPC1 O15118 1/20 0.37
SERPINE1 P05121 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11905335 1.00 SIRT6 (0.46) SIRT6FAAHMGLLALDH1A1SMN1; SMN2
SCHEMBL6890803 0.90 SIRT6 (0.46) SIRT6FAAHMGLLALDH1A1SMN1; SMN2
SCHEMBL11920567 0.88 FAAH (0.42) SIRT6FAAHMGLLALDH1A1SMN1; SMN2
SCHEMBL11905350 0.87 IP6K1 (0.39)
SCHEMBL11905040 0.82 SIRT6 (0.49) SIRT6FAAHMGLLALDH1A1MAPT
SCHEMBL11905043 0.82 SIRT6 (0.49) SIRT6FAAHMGLLALDH1A1MAPT
SCHEMBL6887892 0.81 MAPT (0.54) SIRT6FAAHMGLLALDH1A1SMN1; SMN2
SCHEMBL13108499 0.80 MAPT (0.51) SIRT6FAAHMGLLALDH1A1SMN1; SMN2
SCHEMBL2462404 0.80 MAPT (0.51) SIRT6FAAHMGLLALDH1A1SMN1; SMN2
SCHEMBL1667815 0.79 SIRT6 (0.41) SIRT6FAAHMGLLALDH1A1SMN1; SMN2

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
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 SIRT6 377/4885FAAH 887/4885MGLL 3158/4885

“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.