SCHEMBL10025752

SCHEMBL10025752

CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GAA P10253 1/20 0.40
LCK P06239 3/20 0.39
PRMT1 Q99873 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL29394473 0.83 LCK (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL22523913 0.78 LCK (0.43) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL1712579 0.78 ALDH1A1 (0.51) MAPTSMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL533505 0.78 RAB9A (0.62) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL31151002 0.78 RAB9A (0.62) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29510654 0.78 ALDH1A1 (0.51) MAPTSMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL14622117 0.78 LCK (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3223803 0.77 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL3223791 0.77 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL30051515 0.77 POLB (0.40) MAPTNPC1RAB9ASMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 US disclosed
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins LIFE MOLECULAR IMAGING LIMITED (GB) 2017-01-05 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
WO-2015110263-A1 CARBAZOLE AND CARBOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH AMYLOID OR AMYOLID-LIKE PROTEINS AC IMMUNE SA (CH) 2015-07-30 WO 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-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-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
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

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-20100056796-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits APP, PSEN1, PSEN2 MAPT 5/4885NPC1 65/4885RAB9A 2483/4885
US-20140296534-A1 COMPOUNDS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS APP, PSEN1, PSEN2 MAPT 5/4885NPC1 65/4885RAB9A 2483/4885
US-20120264943-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits APP, PSEN1, PSEN2 MAPT 5/4885NPC1 65/4885RAB9A 2483/4885
US-20170002005-A1 Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins APP, BACE1, PSEN1 MAPT 8/4885NPC1 294/4885RAB9A 3242/4885

“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.