SCHEMBL483829

SCHEMBL483829

CN(C(=O)OC(C)(C)C)c1ccc(-c2cc([N+](=O)[O-])c3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.54
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
BRD4 O60885 1/20 0.40
CYP3A4 P08684 1/20 0.40
TACR3 P29371 3/20 0.40
ACACB O00763 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL483906 0.86 MAPT (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL483905 0.86 MAPT (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2163741 0.83 PAX8 (0.58) PAX8ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12324217 0.81 MAPT (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27911875 0.80 KMT2A (0.48) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8701652 0.77 PAX8 (0.49) PAX8ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2136947 0.76 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27911878 0.75 MAPT (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1691044 0.73 PAX8 (0.60) PAX8MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL27960958 0.73 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP 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
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 PAX8 4205/4885MAPT 1/4885ALDH1A1 3291/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 PAX8 4170/4885MAPT 1/4885ALDH1A1 3926/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 PAX8 4205/4885MAPT 1/4885ALDH1A1 3291/4885

“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.