SCHEMBL5309167

SCHEMBL5309167

COC(=O)COc1ncc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
VCAM1 P19320 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AGTR1 P30556 1/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 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
SCHEMBL2007502 0.90 LMNA (0.49) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL2818590 0.90 LMNA (0.52) MAPTMAPK1POLBKDM4EKMT2A
SCHEMBL15889718 0.90 MAPT (0.40) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL15878469 0.85 MAPT (0.47) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL72187 0.85 MAPT (0.56) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL16545190 0.84 MAPT (0.51) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL1190428 0.84 SMN1; SMN2 (0.46) MAPTPOLBL3MBTL1KDM4EPDGFRB
SCHEMBL1191402 0.83 PTGS2 (0.40) MAPTKDM4EPDGFRBFGFR1PDGFRA
SCHEMBL31339552 0.83 PTGS2 (0.40) MAPTMAPK1POLBPDGFRBFGFR1
SCHEMBL1191026 0.83 PTGS2 (0.40) MAPTMAPK1POLBPDGFRBFGFR1

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
EP-2846804-B1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-29 EP disclosed
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 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-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF MET, PDXK, FLT3 MAPT 2852/4885MAPK1 204/4885POLB 3425/4885

“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.