SCHEMBL2911207

SCHEMBL2911207

COc1cc(C)c([N+](=O)[O-])cc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 6/20 0.49
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL31077653 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL3294994 0.90 ALDH1A1 (0.59) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11251378 0.90 ALDH1A1 (0.55) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL2944676 0.88 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL29738113 0.88 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL2955974 0.88 ALDH1A1 (0.53) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL6370714 0.88 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL8089043 0.86 ALDH1A1 (0.52) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL6117320 0.83 ALDH1A1 (0.46) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL15744027 0.83 ALDH1A1 (0.46) ALDH1A1TDP1MAPTCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101038-A1 COMPOUNDS Psylo Pty Ltd (AU) 2025-03-27 US disclosed
EP-4452937-A1 COMPOUNDS Psylo Pty Ltd (AU) 2024-10-30 EP disclosed
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 US disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 WO disclosed
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-03-03 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 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 (5 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 ALDH1A1 204/4885TDP1 2164/4885MAPT 4643/4885
US-20250101038-A1 COMPOUNDS NLN, SLC18A2, PYGB ALDH1A1 981/4885TDP1 584/4885MAPT 139/4885
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 ALDH1A1 1525/4885TDP1 1105/4885MAPT 525/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 ALDH1A1 1497/4885TDP1 1669/4885MAPT 498/4885
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS SELP, SELE, SELL ALDH1A1 215/4885TDP1 1579/4885MAPT 2781/4885

“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.