SCHEMBL736069

SCHEMBL736069

COc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.55
MAPT P10636 9/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LMNA P02545 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP19A1 P11511 3/20 0.53
NTSR1 P30989 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TUBB1 Q9H4B7 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAOB P27338 1/20 0.48

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
SCHEMBL7819820 0.87 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL21347524 0.87 TUBB1 (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9947562 0.83 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL7147744 0.83 TUBB1 (0.66) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13191111 0.82 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL10172977 0.82 CCR5 (0.67) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL9947480 0.82 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6927459 0.82 CYP19A1 (0.57) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL30873551 0.82 MAOB (0.55) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29227196 0.82 MAOB (0.55) MAPTSMN1; SMN2NPC1RAB9ALMNA

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-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-07-26 US disclosed
US-8138360-B2 substrates for amyloidogenic proteins, for example, A beta 1-42, an amyloid protein, brain deposits of which are associated with Alzheimer's disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-03-20 US disclosed
US-8138360-B2 substrates for amyloidogenic proteins, for example, A beta 1-42, an amyloid protein, brain deposits of which are associated with Alzheimer's disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-03-20 US disclosed
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins UNIVERSITY OF PITTSBURGH- OF COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-11-06 US disclosed
US-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins UNIVERSITY OF PITTSBURGH- OF COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-11-06 US disclosed
WO-2007047204-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGINGAGENTS FORAMYLOIDOGENIC PROTEINS UNIVERSITY OF PITTSBURGH (US) 2007-04-26 WO 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 (2 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-20080274058-A1 Isotopically-Labeled Benzofuran Compounds as Imaging Agents for Amyloidogenic Proteins BACE1, APP, BACE2 TLR9 4870/4885MAPT 16/4885SMN1; SMN2 740/4885
US-20120189545-A1 ISOTOPICALLY-LABELED BENZOFURAN COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS BACE1, APP, BACE2 TLR9 4870/4885MAPT 16/4885SMN1; SMN2 740/4885

“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.