SCHEMBL1181925

SCHEMBL1181925

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1-c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.58
BACE1 P56817 2/20 0.55
MAPT P10636 3/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
XBP1 P17861 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GSTP1 P09211 2/20 0.52
NPSR1 Q6W5P4 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
SCHEMBL7251777 0.92 PTGES (0.60) PTGESBACE1MAPTMAPK1LMNA
SCHEMBL7256025 0.90 PTGES (0.61) PTGESBACE1MAPTMAPK1LMNA
SCHEMBL7250749 0.89 PTGES (0.57) PTGESBACE1MAPTMAPK1LMNA
SCHEMBL4204697 0.89 PTGES (0.57) PTGESMAPTMAPK1LMNATDP1
SCHEMBL7250438 0.89 PTGES (0.57) PTGESMAPTMAPK1LMNATDP1
SCHEMBL7251545 0.89 PTGES (0.57) PTGESMAPTMAPK1LMNATDP1
SCHEMBL16418520 0.87 PTGES (0.53) PTGESBACE1MAPTMAPK1LMNA
SCHEMBL1182264 0.85 PTGES (0.54) PTGESBACE1MAPTMAPK1LMNA
SCHEMBL7257197 0.85 PTGES (0.54) PTGESMAPTMAPK1LMNATDP1
SCHEMBL7251977 0.85 PTGES (0.54) PTGESMAPTMAPK1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed
EP-2247558-B1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2022-02-02 EP disclosed
EP-2247558-B1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2022-02-02 EP disclosed
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 US disclosed
US-8932557-B2 Imaging agents for detecting neurological dysfunction ELI LILLY AND COMPANY (US) 2015-01-13 US disclosed
EP-2599763-A1 Novel imaging agents for detecting neurological dysfunction Siemens Molecular Imaging, Inc. (US) 2013-06-05 EP disclosed
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-29 US disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US disclosed
EP-2247558-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION Siemens Medical Solutions USA, Inc. (US) 2010-11-10 EP disclosed
WO-2009102498-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2009-08-20 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 (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-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION FABP7, TSPO, SLC18A3 PTGES 4477/4885BACE1 66/4885MAPT 39/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO PTGES 4509/4885BACE1 55/4885MAPT 35/4885
US-20150030540-A1 Imaging agents for detecting neurological dysfunction SLC18A3, TSPO, CHAT PTGES 4375/4885BACE1 32/4885MAPT 36/4885
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SLC18A3, TSPO, CHAT PTGES 4375/4885BACE1 32/4885MAPT 36/4885

“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.