SCHEMBL158286

SCHEMBL158286

CN1CCN(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
HPGD P15428 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
SCHEMBL255550 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL519679 0.82 SIRT6 (0.43) MEN1KMT2AMMP2ALDH1A1MAPT
SCHEMBL23728185 0.73 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16530352 0.70 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28539303 0.70 RIPK1 (0.47) KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL20908728 0.70 HRH3 (0.46) MEN1KMT2AALDH1A1MAPTSIRT6
SCHEMBL1581647 0.69 SLC18A3 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL28545615 0.68 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL25295389 0.68 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL16570024 0.67 HSD11B1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
EP-2611790-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut, Inc. (US) 2013-07-10 EP disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 MEN1 2702/4885KMT2A 3969/4885L3MBTL1 4437/4885

“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.