SCHEMBL5537869

SCHEMBL5537869

COC(=O)c1ccc(CN2CCCC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.42
RAB9A P51151 1/20 0.42
BDKRB1 P46663 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL2772221 0.91 SIRT6 (0.50) SIRT6RAB9ABDKRB1ALDH1A1LMNA
SCHEMBL1887396 0.82 L3MBTL1 (0.52) SIRT6ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL2725731 0.81 KDM4E (0.46) RAB9ABDKRB1ALDH1A1KMT2AACACB
SCHEMBL31167254 0.81 HDAC6 (0.53) RAB9ABDKRB1ALDH1A1KMT2AACACB
SCHEMBL590915 0.81 L3MBTL1 (0.53) SIRT6ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL13270422 0.79 KDM4E (0.57) RAB9ABDKRB1ALDH1A1KMT2AACACB
SCHEMBL23727581 0.77 MAPK1 (0.47) RAB9AKMT2AACACBL3MBTL1MAPT
SCHEMBL7298034 0.77 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMAPTMAPK1
SCHEMBL13634220 0.76 ALDH1A1 (0.48) SIRT6RAB9AALDH1A1LMNAKMT2A
Methylpyrrolidone SCHEMBL27622825 0.76 KMT2A (0.49) SIRT6ALDH1A1LMNAKMT2AMAPT

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-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 SIRT6 688/4885RAB9A 2408/4885BDKRB1 4467/4885

“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.