SCHEMBL3400464

SCHEMBL3400464

O=CCn1c2ccccc2c2ccc(OCCOCCOCCF)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.41
PSEN2 P49810 11/20 0.41
APH1B Q8WW43 11/20 0.41
NCSTN Q92542 11/20 0.41
APH1A Q96BI3 11/20 0.41
PSENEN Q9NZ42 11/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APP P05067 4/20 0.36
POLB P06746 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
SCHEMBL1180578 0.80 KDM4E (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14054011 0.79 POLB (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3401473 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22873005 0.78 L3MBTL1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1180651 0.77 POLB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1180413 0.75 P2RX4 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24227341 0.75 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13456337 0.73 CYP1A2 (0.56) KDM4E
SCHEMBL24227323 0.73 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22873260 0.73 ATM (0.46) MEN1KMT2AKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852572-A1 CARBOLINE AND CARBAZOLE BASED IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION Eli Lilly and Company (US) 2015-04-01 EP disclosed
US-8932557-B2 Imaging agents for detecting neurological dysfunction ELI LILLY AND COMPANY (US) 2015-01-13 US disclosed
WO-2013176698-A1 CARBOLINE AND CARBAZOLE BASED IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION ELI LILLY AND COMPANY (US) 2013-11-28 WO disclosed
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-29 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 (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-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SLC18A3, TSPO, CHAT PSEN1 25/4885PSEN2 38/4885APH1B 401/4885

“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.