SCHEMBL3852248

SCHEMBL3852248

O=[N+]([O-])c1cc(CI)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
VCAM1 P19320 1/20 0.45
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
XDH P47989 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL11494117 0.83 CYP19A1 (0.56) CYP19A1TSHRLMNAHTTMEN1
SCHEMBL7847044 0.81 CYP3A4 (0.43) CYP19A1TSHRLMNAMEN1KMT2A
SCHEMBL5254416 0.80 CYP19A1 (0.59) CYP19A1TSHRLMNAHTTMEN1
SCHEMBL212845 0.79 CYP19A1 (0.81) CYP19A1TSHRLMNAHTTMEN1
SCHEMBL228816 0.79 TSHR (0.67) TSHRLMNAHTTMEN1KMT2A
SCHEMBL30123489 0.79 TSHR (0.67) TSHRLMNAHTTMEN1KMT2A
SCHEMBL1886967 0.76 CYP19A1 (0.54) CYP19A1TSHRLMNAHTTMEN1
SCHEMBL1316710 0.76 TSHR (0.64) CYP19A1TSHRLMNAHTTMEN1
SCHEMBL5495288 0.76 HTT (0.57) CYP19A1TSHRLMNAHTTMEN1
SCHEMBL716259 0.76 CYP19A1 (0.54) CYP19A1TSHRLMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378120-B2 Method and reagent for measuring nitroreductase enzyme activity GE HEALTHCARE UK LIMITED (GB) 2013-02-19 US disclosed
US-20090325209-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY GE HEALTHCARE UK LIMITED (GB) 2009-12-31 US disclosed
US-7579140-B2 Method and reagent for measuring nitroreductase enzyme activity GE HEALTHCARE UK LIMITED (GB) 2009-08-25 US disclosed
US-20080317674-A1 Method and Reagent for Measuring Nitroreductase Enzyme Activity GE HEALTHCARE UK LIMITED (GB) 2008-12-25 US disclosed
EP-1749103-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY GE Healthcare UK Limited (GB) 2007-02-07 EP disclosed
WO-2005118839-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY GE HEALTHCARE UK LIMITED (GB) 2005-12-15 WO disclosed
US-6828116-B1 Energy transfer assay method and reagent AMERSHAM BIOSCIENCES UK LIMITED (GB) 2004-12-07 US disclosed
EP-1086179-B1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES UK LTD (GB) 2003-04-23 EP disclosed
EP-1086179-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT Amersham Pharmacia Biotech UK Ltd. (GB) 2001-03-28 EP disclosed
WO-1999064519-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES CORP (GB) 1999-12-16 WO disclosed
EP-0452725-B1 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEM RES (JP) 1995-11-08 EP disclosed
EP-0635533-A1 Polyimide-based liquid crystal aligning agent SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-5153304-A Polyimides; liquid crystal tilting agent; water-repelling SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-10-06 US disclosed
US-5144078-A Polyimide intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-09-01 US disclosed
EP-0452725-A2 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-23 EP 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-20090325209-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY CBR3, CBR1, ADH7 CYP19A1 904/4885TSHR 1313/4885LMNA 3842/4885
US-20080317674-A1 Method and Reagent for Measuring Nitroreductase Enzyme Activity CBR3, CBR1, SQOR CYP19A1 1013/4885TSHR 1499/4885LMNA 3803/4885

“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.