SCHEMBL6887537

SCHEMBL6887537

COC(=O)c1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 5/20 0.58
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ VCAM1 P19320 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL11905273 0.88 SIRT6 (0.44) SIRT6MAPTALDH1A1
SCHEMBL6887543 0.81 KDM4E (0.44) SIRT6MAPTALDH1A1
SCHEMBL30900358 0.79 TUBB4A (0.44) SIRT6TDP1MAPTHTTALDH1A1
SCHEMBL22652198 0.79 ALDH1A1 (0.36) SIRT6MAPTALDH1A1MAPK1HSD11B1
SCHEMBL22652044 0.79 ALDH1A1 (0.36) SIRT6MAPTALDH1A1MAPK1HSD11B1
SCHEMBL26677915 0.77 MAPT (0.38) SIRT6TDP1MAPTALDH1A1MAPK1
SCHEMBL22652110 0.77 MAPT (0.38) SIRT6TDP1MAPTALDH1A1MAPK1
SCHEMBL25933205 0.76 KCNH2 (0.37) ALDH1A1
SCHEMBL11904967 0.76 SIRT6 (0.42) SIRT6MAPTALDH1A1
SCHEMBL11904975 0.76 SIRT6 (0.42) SIRT6MAPTALDH1A1

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 9 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
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-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 — — US 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
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 — — US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 — — US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 — — 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 SIRT6 377/4885TDP1 2173/4885MAPT 157/4885

“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.

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