SCHEMBL4361946

SCHEMBL4361946

CC(=O)Nc1cc(F)c([N+](=O)[O-])c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL23648006 0.80 MAPT (0.40) NPSR1MAPTCA1CA2CA9
SCHEMBL28878765 0.78 GRIN2D (0.45) NPSR1MAPTCA1CA2CA9
SCHEMBL9674482 0.77 HDAC1 (0.50) MAPTCA1CA2CA9HTT
SCHEMBL1425030 0.77 MAPT (0.55) NPSR1MAPTCA1CA2CA9
SCHEMBL23579735 0.76 MAPT (0.40) NPSR1MAPTCA1CA2CA9
SCHEMBL30748250 0.75 NPSR1 (0.50) NPSR1MAPTCA1CA2CA9
SCHEMBL3251790 0.75 NPSR1 (0.50) NPSR1MAPTCA1CA2CA9
SCHEMBL9232481 0.75 MAPT (0.54) NPSR1MAPTCA1CA2CA9
SCHEMBL4652737 0.75 MAPT (0.54) NPSR1MAPTCA1CA2CA9
SCHEMBL16427650 0.75 SMN1; SMN2 (0.41) NPSR1MAPTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528127-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-05-05 US disclosed
US-7485635-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-02-03 US disclosed
US-7473689-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-01-06 US disclosed
US-7435730-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2008-10-14 US disclosed
US-20070135420-A1 e.g. Methyl 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-pyrro[1,2-a][1,4]benzodiazepin-4-yl]propanoate; GABAA (gamma aminobutiric acid) receptor antagonist; sedative-hypnotic, anxiolytic, muscle relaxant and anticonvulsant; anesthesia CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070135419-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070135421-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070093475-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-04-26 US disclosed
US-7160880-B1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-01-09 US disclosed
EP-1183243-B1 SHORT-ACTING BENZODIAZEPINES CENES LTD (GB) 2006-02-08 EP disclosed
EP-1183243-A1 SHORT-ACTING BENZODIAZEPINES GLAXO GROUP LIMITED (GB) 2002-03-06 EP disclosed
WO-2000069836-A1 SHORT-ACTING BENZODIAZEPINES GLAXO GROUP LIMITED (GB) 2000-11-23 WO disclosed
US-4326009-A Polymeric particulate carrier ROYER GARFIELD P 1982-04-20 US 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 (4 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-20070093475-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 NPSR1 70/4885MAPT 1229/4885CA1 2879/4885
US-20070135420-A1 e.g. Methyl 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-pyrro[1,2-a][1,4]benzodiazepin-4-yl]propanoate; GABAA (gamma aminobutiric acid) receptor antagonist; sedative-hypnotic, anxiolytic, muscle relaxant and anticonvulsant; anesthesia GABRA1, GABRA2, GABRA6 NPSR1 221/4885MAPT 3137/4885CA1 711/4885
US-20070135419-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 NPSR1 70/4885MAPT 1229/4885CA1 2879/4885
US-20070135421-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 NPSR1 70/4885MAPT 1229/4885CA1 2879/4885

“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.