SCHEMBL483789

SCHEMBL483789

CN(C(=O)O)c1ccc(-c2cc3ccccc3cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 5/20 0.54
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
LDHA P00338 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP1A2 P05177 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
BTK Q06187 1/20 0.38
CTRC Q99895 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
SCHEMBL2163763 0.82 PAX8 (0.57) NPC1RAB9AKDM4ESMN1; SMN2CASP3
SCHEMBL2163923 0.82 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2CASP3
SCHEMBL2163767 0.79 NPC1 (0.47) NPC1RAB9AIDO1TDO2LDHA
SCHEMBL24229511 0.78 NPC1 (0.62) NPC1RAB9AIDO1TDO2KDM4E
SCHEMBL483753 0.77 KDM4E (0.54) NPC1RAB9AKDM4ESMN1; SMN2CYP1A2
SCHEMBL27862097 0.76 NPC1 (0.59) NPC1RAB9AIDO1TDO2LDHA
SCHEMBL29838915 0.76 NPC1 (0.67) NPC1RAB9AIDO1TDO2LDHA
SCHEMBL29493150 0.76 NPC1 (0.67) NPC1RAB9AIDO1TDO2LDHA
SCHEMBL729768 0.76 NPC1 (0.67) NPC1RAB9AIDO1TDO2LDHA
SCHEMBL28880195 0.74 NPC1 (0.65) NPC1RAB9AIDO1TDO2LDHA

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 9 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-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
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

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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885IDO1 3211/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885IDO1 3211/4885

“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.