SCHEMBL2090148

SCHEMBL2090148

O=C(Nc1cc([N+](=O)[O-])ccc1F)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
HTT P42858 4/20 0.69
GAA P10253 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
THRB P10828 1/20 0.69
KMT2A Q03164 6/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 3/20 0.60
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL18784583 0.88 PDK1 (0.57) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL7013152 0.87 ALDH1A1 (0.76) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL7299760 0.85 MEN1 (0.59) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL3251744 0.84 KMT2A (0.62) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL1817100 0.84 PDK1 (0.76) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL5549288 0.83 ALDH1A1 (0.63) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL2852173 0.83 KMT2A (0.69) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL2852168 0.83 KMT2A (0.69) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL8553107 0.82 GRIK1 (0.60) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL5549868 0.82 ALDH1A1 (0.72) ALDH1A1HTTGAAL3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445969-B1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2014-08-27 EP disclosed
EP-2445969-B1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2014-08-27 EP disclosed
US-8735444-B2 Fluorinated rhodamines as photostable fluorescent dyes for labelling and imaging techniques MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-05-27 US disclosed
US-8735444-B2 Fluorinated rhodamines as photostable fluorescent dyes for labelling and imaging techniques MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-05-27 US disclosed
US-8735444-B2 Fluorinated rhodamines as photostable fluorescent dyes for labelling and imaging techniques MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-05-27 US disclosed
US-20120135459-A1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-05-31 US disclosed
US-20120135459-A1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-05-31 US disclosed
EP-2445969-A1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-05-02 EP disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
WO-2010149190-A1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES MAX-PLANCK-GESELLSCHAFT ZUR (DE) 2010-12-29 WO disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 ALDH1A1 3235/4885HTT 2381/4885GAA 1264/4885
US-20120135459-A1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES SNRPD1, SRSF6, DRD1 ALDH1A1 452/4885HTT 3524/4885GAA 4575/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 ALDH1A1 3235/4885HTT 2381/4885GAA 1264/4885

“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.