SCHEMBL295867

SCHEMBL295867

[NH]c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ALOX12 P18054 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
AGTR1 P30556 1/20 0.46
HSPB1 P04792 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CXCR5 P32302 1/20 0.45

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
SCHEMBL27875451 0.78 SLC2A1 (0.62) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL3156019 0.77 MAPT (0.52) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL202616 0.76 ADRA2A (0.55) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL29580092 0.76 MAPT (0.50) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL4892045 0.76 MAPT (0.50) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL10936934 0.76 MAPT (0.50) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL29953371 0.75 SLC2A1 (0.64) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL286351 0.75 SLC2A1 (0.64) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL4056425 0.75 MAPT (0.43) SLC2A1MAPTALDH1A1CYP1A2ADRA2A
SCHEMBL18403105 0.74 MAPT (0.49) SLC2A1MAPTALDH1A1CYP1A2ADRA2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US claimed
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US claimed
EP-0910565-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Bayer Corporation (US) 1999-04-28 EP claimed
WO-1998035957-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BAYER CORPORATION (US) 1998-08-20 WO claimed
EP-2191824-B1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation NOVARTIS AG (CH) 2012-03-14 EP disclosed
EP-1671649-B1 Dipeptidyl peptidase IV inhibitors for treating diabetic patients with sulfonylurea secondary failure TAKEDA PHARMACEUTICAL (JP) 2011-11-23 EP disclosed
US-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION KOWALSKI JAMES 2011-04-14 US disclosed
EP-2191824-A1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation Novartis AG (CH) 2010-06-02 EP disclosed
US-20100021539-A1 Modified Release 1-[(3-Hydroxy-Adamant-1-Ylamino)-Acetyl]-Pyrrolidine-2(S)-Carbonitrile Formulation KOWALSKI JAMES 2010-01-28 US disclosed
EP-1898904-B1 MODIFIED RELEASE 1-[(3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL]-PYRROLIDINE-2(S)-CARBONITRILE FORMULATION NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US disclosed
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed
EP-0910565-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Bayer Corporation (US) 1999-04-28 EP disclosed
WO-1998035957-A1 AMIDE DERIVATIVES AS SELECTIVE NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BAYER CORPORATION (US) 1998-08-20 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 (3 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES SLC2A1 4070/4885MAPT 3965/4885ALDH1A1 483/4885
US-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION MAST1, CACNG1, CMA1 SLC2A1 1804/4885MAPT 2391/4885ALDH1A1 2261/4885
US-20100021539-A1 Modified Release 1-[(3-Hydroxy-Adamant-1-Ylamino)-Acetyl]-Pyrrolidine-2(S)-Carbonitrile Formulation MAST1, CMA1, SUCNR1 SLC2A1 2019/4885MAPT 2496/4885ALDH1A1 2432/4885

“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.