SCHEMBL5219938

SCHEMBL5219938

COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 2/20 0.46
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 4/20 0.44
GPR35 Q9HC97 2/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
CCR6 P51684 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
SCHEMBL15081285 0.86 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMEN1PDGFRB
SCHEMBL913705 0.86 PDGFRB (0.46) ALDH1A1KMT2AMEN1PDGFRBFGFR1
SCHEMBL30353758 0.86 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMEN1PDGFRB
SCHEMBL24723054 0.84 PDGFRB (0.45) ALDH1A1LMNAKMT2AMEN1NPSR1
SCHEMBL5628047 0.84 KMT2A (0.56) ALDH1A1LMNAKMT2AMEN1NPSR1
SCHEMBL2522809 0.84 PDGFRB (0.50) ALDH1A1LMNAKMT2AMEN1NPSR1
SCHEMBL357183 0.83 SIRT6 (0.44) ALDH1A1LMNAKMT2AMEN1PDGFRB
SCHEMBL16935287 0.83 PDGFRB (0.44) ALDH1A1KMT2AMEN1PDGFRBFGFR1
SCHEMBL25249572 0.83 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AMEN1PDGFRB
SCHEMBL1462927 0.83 TDP1 (0.47) LMNAKMT2AMEN1PDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
EP-3187584-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS Japan Science and Technology Agency (JP) 2017-07-05 EP disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
WO-2005113525-A1 N, N’-SUBSTITUTED-1,3-DIAMINO-2-OXOPROPANE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND USE GLAXO GROUP LIMITED (GB) 2005-12-01 WO disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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 (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-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT ALDH1A1 1261/4885LMNA 1347/4885KMT2A 1835/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ALDH1A1 3102/4885LMNA 1062/4885KMT2A 300/4885

“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.