SCHEMBL2163258

SCHEMBL2163258

O=[N+]([O-])c1ccc(-c2ccn3c(n2)nc2cc(O)ccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 5/20 0.61
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
ELANE P08246 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA2A P29274 1/20 0.41
NPBWR1 P48145 1/20 0.39
MBD2 Q9UBB5 1/20 0.39
NPC1 O15118 2/20 0.38
SCN4A P35499 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL12403865 0.86 MMP2 (0.47) RAD51MEN1KMT2ARAB9AMAPT
SCHEMBL2163017 0.83 MEN1 (0.45) RAD51MEN1KMT2ARAB9AMAPT
SCHEMBL484211 0.83 ADORA2A (0.58) RAD51MEN1KMT2ARAB9AMAPT
SCHEMBL2163050 0.81 RAD51 (0.57) RAD51MEN1KMT2ARAB9AADORA2A
SCHEMBL20816315 0.76 RAD51 (1.00) RAD51MEN1KMT2ARAB9AMAPT
SCHEMBL2163042 0.72 ADORA2A (0.53) RAD51MEN1KMT2ARAB9AMAPT
SCHEMBL2162677 0.72 NPC1 (0.53) MEN1KMT2ARAB9AMAPTTDP1
Bromide SCHEMBL2164327 0.71 ADORA2A (0.52) RAD51MEN1KMT2ARAB9AMAPT
SCHEMBL2162770 0.71 MAPT (0.37) MEN1KMT2ARAB9AMAPTTDP1
SCHEMBL15602823 0.69 RAB9A (0.68) RAD51MEN1KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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 (1 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 RAD51 1902/4885MEN1 335/4885KMT2A 4784/4885

“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.