SCHEMBL5410258

SCHEMBL5410258

Cn1ncc([N+](=O)[O-])c1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
PKM P14618 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5717649 0.86 GAA (0.44) GAAPKMMEN1KMT2APOLB
SCHEMBL15608878 0.83 TDP1 (0.45) GAAPKMMEN1KMT2APOLB
SCHEMBL13764827 0.81 GAA (0.45) GAAPKMMEN1KMT2APOLB
SCHEMBL868808 0.78 MEN1 (0.42) GAAPKMMEN1KMT2APOLB
SCHEMBL868203 0.78 GAA (0.42) GAAPKMMEN1KMT2APOLB
SCHEMBL27849207 0.75 GAA (0.40) GAAPKMMEN1KMT2APOLB
SCHEMBL26124247 0.75 TDP1 (0.40) GAAPKMMEN1KMT2APOLB
SCHEMBL3998201 0.75 GAA (0.58) GAAPKMMEN1KMT2APOLB
SCHEMBL4362725 0.74 PTGDR2 (0.38) MEN1KMT2APOLBKDM4EHPGD
SCHEMBL2777106 0.74 P2RX7 (0.47) MEN1KMT2APOLBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947292-B nitrogen-containing heteroaryl compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-08-19 CN disclosed
CN-102947292-A nitrogen-containing heteroaryl compounds HOFFMANN LA ROCHE 2013-02-27 CN disclosed
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
US-20040014783-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-22 US disclosed
US-20040006080-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-08 US disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 US disclosed
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 US disclosed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 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 (6 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 GAA 593/4885PKM 956/4885MEN1 2872/4885
US-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 GAA 2997/4885PKM 2818/4885MEN1 696/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 GAA 2837/4885PKM 2905/4885MEN1 809/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 GAA 2997/4885PKM 2818/4885MEN1 696/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 GAA 2997/4885PKM 2818/4885MEN1 696/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 GAA 2837/4885PKM 2905/4885MEN1 809/4885

“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.