SCHEMBL10025751

SCHEMBL10025751

Cc1ccc(Br)c([N+](=O)[O-])n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
S1PR4 O95977 11/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL27845088 0.81 RAB9A (0.41) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL18979820 0.79 MAPT (0.37) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL30370409 0.79 MAPT (0.37) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL799663 0.79 ALDH1A1 (0.53) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL2638818 0.78 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL31121580 0.76 CTSB (0.56) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL1923229 0.76 BACE1 (0.37) MAPTALDH1A1
SCHEMBL187124 0.76 CTSB (0.56) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL28051995 0.76 S1PR4 (0.52) NPC1RAB9AMAPTSMN1; SMN2S1PR4
SCHEMBL13457247 0.76 ALDH1A1 (0.38) NPC1RAB9AMAPTSMN1; SMN2S1PR4

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 6 patents. 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 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-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 NPC1 65/4885RAB9A 2483/4885MAPT 5/4885
US-20140296534-A1 COMPOUNDS SUITABLE AS PRECURSORS TO COMPOUNDS THAT ARE USEFUL FOR IMAGING AMYLOID DEPOSITS APP, PSEN1, PSEN2 NPC1 65/4885RAB9A 2483/4885MAPT 5/4885
US-20120264943-A1 Compounds Suitable As Precursors to Compounds that are Useful for Imaging Amyloid Deposits APP, PSEN1, PSEN2 NPC1 65/4885RAB9A 2483/4885MAPT 5/4885

“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.