SCHEMBL16489558

SCHEMBL16489558

CN1CCN(c2cc(NCc3ccccc3)c([N+](=O)[O-])cn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.68
HTR6 P50406 5/20 0.58
HRH4 Q9H3N8 3/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.53
MET P08581 5/20 0.52

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
SCHEMBL16512498 0.89 SIRT6 (0.56) SIRT6HTR6HRH4MAPTCYP1A2
SCHEMBL1847175 0.81 SIRT6 (1.00) SIRT6HTR6MAPTALDH1A1L3MBTL1
SCHEMBL15722616 0.81 HRH4 (0.63) SIRT6HTR6HRH4MET
SCHEMBL10323106 0.79 HRH4 (0.59) SIRT6HTR6HRH4MET
SCHEMBL3147203 0.79 SIRT6 (0.83) SIRT6HTR6MAPTALDH1A1L3MBTL1
SCHEMBL16489582 0.78 SIRT6 (0.61) SIRT6HTR6HRH4MAPTALDH1A1
SCHEMBL10322813 0.77 HTR6 (0.66) SIRT6HTR6HRH4ALDH1A1MET
Formaldehyde SCHEMBL27516052 0.76 MAPT (0.52) SIRT6HTR6MAPTALDH1A1TDP1
SCHEMBL8560894 0.75 HTR6 (0.55) SIRT6HTR6MAPTALDH1A1TDP1
SCHEMBL15740633 0.75 MAPT (0.53) SIRT6HTR6MAPTALDH1A1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
WO-2015022332-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 WO disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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 (2 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 SIRT6 320/4885HTR6 30/4885HRH4 417/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 SIRT6 320/4885HTR6 30/4885HRH4 417/4885

“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.