SCHEMBL484685

SCHEMBL484685

CN(C)c1ccc(C#Cc2nc3ccccc3n2CCF)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 3/20 0.47
GFER P55789 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44

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
SCHEMBL12403519 1.00 ALDH1A1 (0.47) ALDH1A1MAPTRAB9AKMT2AHTT
SCHEMBL12324075 0.88 APP (0.53) ALDH1A1MAPTRAB9AKMT2AHTT
SCHEMBL12324086 0.84 APP (0.40) ALDH1A1MAPTRAB9AKMT2AHTT
SCHEMBL2163043 0.81 PAX8 (0.44) ALDH1A1MAPTKMT2AHTTKDM4E
SCHEMBL27894583 0.81 LMNA (0.41) ALDH1A1RAB9AKMT2AHTTNPC1
SCHEMBL13189539 0.80 CYP1A2 (0.41) MAPTRAB9AHTTCYP1A2CYP2C19
SCHEMBL12324755 0.79 GRM5 (0.41) ALDH1A1RAB9AKMT2AHTTNPC1
SCHEMBL12402832 0.78 LMNA (0.36) ALDH1A1MAPTKMT2AHTTKDM4E
SCHEMBL484109 0.77 CXCR4 (0.39) KMT2AHTTCYP1A2POLB
SCHEMBL12324097 0.77 KDM4E (0.73) ALDH1A1MAPTRAB9AKMT2AHTT

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 16 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-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
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-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP 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

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 ALDH1A1 3291/4885MAPT 1/4885RAB9A 1055/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 ALDH1A1 3926/4885MAPT 1/4885RAB9A 1434/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 ALDH1A1 3291/4885MAPT 1/4885RAB9A 1055/4885

“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.