SCHEMBL3223791

SCHEMBL3223791

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
SORT1 Q99523 1/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRM5 P41594 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
SCHEMBL3223803 1.00 CYP1A2 (0.49) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL28535502 0.79 MEN1 (0.63) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL25383671 0.77 KMT2A (0.53) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL10025752 0.77 MAPT (0.43) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL3219704 0.77 KCNH2 (0.42) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL31052662 0.75 KMT2A (0.56) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL3294386 0.74 TSHR (0.46) CYP1A2CYP2C19CYP3A4KMT2AMEN1
SCHEMBL25382805 0.74 CYP1A2 (0.45) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL8791171 0.73 RAB9A (0.44) CYP1A2CYP3A4KMT2ARAB9AMEN1
SCHEMBL2482068 0.73 KDM4E (0.59) KMT2AMEN1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662193-B2 Carbazole and carboline compounds for use in the diagnosis, treatment, alleviation or prevention of disorders associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2020-05-26 US 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-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
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-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

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-10662193-B2 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 CYP1A2 974/4885CYP2C19 3235/4885CYP3A4 1220/4885
US-20100056796-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits APP, PSEN1, PSEN2 CYP1A2 2495/4885CYP2C19 3789/4885CYP3A4 2743/4885
US-20140296534-A1 COMPOUNDS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS APP, PSEN1, PSEN2 CYP1A2 2495/4885CYP2C19 3789/4885CYP3A4 2743/4885
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 CYP1A2 974/4885CYP2C19 3235/4885CYP3A4 1220/4885

“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.