SCHEMBL161463

SCHEMBL161463

CN1CCNC(=O)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
SIRT6 Q8N6T7 2/20 0.41
ADRB1 P08588 1/20 0.41
KCNJ1 P48048 2/20 0.40
KCNH2 Q12809 2/20 0.40
MMP2 P08253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL1205561 0.82 KMT2A (0.41) LMNARECQLSIRT6ADRB1KCNJ1
SCHEMBL255396 0.80 TSHR (0.41) ALDH1A1POLBKMT2AHPGDMAPT
SCHEMBL161388 0.79 CYP19A1 (0.41) ALDH1A1MEN1KMT2AMAPT
SCHEMBL25268496 0.79 PRCP (0.46) ALDH1A1MEN1KMT2A
SCHEMBL519679 0.77 SIRT6 (0.43) LMNARECQLSIRT6KCNJ1KCNH2
SCHEMBL15341604 0.77 HPGD (0.41) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL17054752 0.71 LMNA (0.44) LMNARECQLSIRT6ADRB1ALDH1A1
Hydrochloric Acid SCHEMBL22638775 0.70 LMNA (0.43) LMNARECQLSIRT6ADRB1ALDH1A1
SCHEMBL17054879 0.69 LMNA (0.42) LMNARECQLSIRT6ADRB1ALDH1A1
SCHEMBL23727945 0.69 LMNA (0.42) LMNARECQLSIRT6ALDH1A1POLB

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 6 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
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 LMNA 2053/4885RECQL 851/4885SIRT6 1668/4885

“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.