SCHEMBL1923229

SCHEMBL1923229

Nc1ccc(Br)c([N+](=O)[O-])n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.37
TYMS P04818 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
CTSB P07858 1/20 0.36
GSK3B P49841 1/20 0.36
HASPIN Q8TF76 1/20 0.36
MAPT P10636 3/20 0.35
CYP2D6 P10635 1/20 0.34
NQO2 P16083 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL109187 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4GSK3BHASPINMAPT
SCHEMBL18979820 0.79 MAPT (0.37) TYMSALDH1A1MAPTCYP2D6NQO2
SCHEMBL30078658 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4GSK3BHASPINMAPT
SCHEMBL30370409 0.79 MAPT (0.37) TYMSALDH1A1MAPTCYP2D6NQO2
SCHEMBL10025751 0.76 NPC1 (0.51) ALDH1A1MAPT
SCHEMBL1700862 0.76 NOS3 (0.48) ALDH1A1CYP3A4GSK3BHASPINMAPT
SCHEMBL27845119 0.76 KDM4E (0.41) ALDH1A1MAPTTDP1
SCHEMBL15530461 0.73 GABRP (0.55) ALDH1A1CYP3A4MAPTCYP2D6TDP1
SCHEMBL2034272 0.72 TDP1 (0.42) TYMSALDH1A1CYP3A4CTSBGSK3B
SCHEMBL13457247 0.72 ALDH1A1 (0.38) ALDH1A1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309267-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2016-04-12 US claimed
EP-2328891-B1 NEW BENZOFURANS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS ASTRAZENECA AB (SE) 2017-04-05 EP disclosed
EP-2328891-B1 NEW BENZOFURANS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS ASTRAZENECA AB (SE) 2017-04-05 EP disclosed
US-9309267-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2016-04-12 US disclosed
US-9309267-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2016-04-12 US disclosed
US-9309267-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2016-04-12 US disclosed
US-20140296534-A1 COMPOUNDS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS ASTRAZENECA AB (SE) 2014-10-02 US disclosed
US-20140296534-A1 COMPOUNDS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS ASTRAZENECA AB (SE) 2014-10-02 US disclosed
US-20140296534-A1 COMPOUNDS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS ASTRAZENECA AB (SE) 2014-10-02 US disclosed
US-8653274-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2014-02-18 US disclosed
US-20120264943-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-8193363-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2012-06-05 US disclosed
US-8193363-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2012-06-05 US disclosed
US-8193363-B2 Compounds suitable as precursors to compounds that are useful for imaging amyloid deposits ASTRAZENECA AB (SE) 2012-06-05 US disclosed
EP-2328891-A1 NEW BENZOFURANS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS AstraZeneca AB (SE) 2011-06-08 EP disclosed
WO-2010024769-A1 NEW BENZOFURANS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS ASTRAZENECA AB (SE) 2010-03-04 WO disclosed
WO-2010024769-A1 NEW BENZOFURANS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS ASTRAZENECA AB (SE) 2010-03-04 WO disclosed
US-20100056796-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits ASTRAZENECA AB (SE) 2010-03-04 US disclosed
US-20100056796-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits ASTRAZENECA AB (SE) 2010-03-04 US disclosed
US-20100056796-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits ASTRAZENECA AB (SE) 2010-03-04 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 (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-20100056796-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits APP, PSEN1, PSEN2 BACE1 4/4885TYMS 1849/4885ALDH1A1 2924/4885
US-20140296534-A1 COMPOUNDS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS APP, PSEN1, PSEN2 BACE1 4/4885TYMS 1849/4885ALDH1A1 2924/4885
US-20120264943-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits APP, PSEN1, PSEN2 BACE1 4/4885TYMS 1849/4885ALDH1A1 2924/4885

“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.