SCHEMBL2802333

SCHEMBL2802333

FCCOCCOCCOc1ccc2cc(Br)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.44
BACE1 P56817 1/20 0.41
NCF1 P14598 4/20 0.41
MAPT P10636 6/20 0.38
APP P05067 5/20 0.38
SNCA P37840 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL13196924 0.91 BACE1 (0.46) CYP1B1BACE1MAPTKDM4ETLR2
SCHEMBL2800255 0.89 BACE1 (0.41) CYP1B1BACE1NCF1MAPTKDM4E
SCHEMBL29455719 0.82 BACE1 (0.46) BACE1MAPTTLR2MEN1KMT2A
SCHEMBL29455889 0.81 BACE1 (0.45) BACE1MAPTKDM4ETLR2MEN1
SCHEMBL16621225 0.81 BACE1 (0.45) BACE1NCF1MAPTTLR2MEN1
SCHEMBL16620820 0.79 BACE1 (0.46) BACE1NCF1MAPTKDM4ETLR2
SCHEMBL22117590 0.79 BACE1 (0.46) BACE1MAPTKDM4ETLR2MEN1
SCHEMBL22117596 0.79 BACE1 (0.46) BACE1MAPTKDM4ETLR2MEN1
SCHEMBL2802429 0.79 MAPT (0.52) CYP1B1BACE1NCF1MAPTAPP
SCHEMBL2801588 0.77 KDM4E (0.56) NCF1MAPTAPPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (PA) 2010-08-26 US disclosed
EP-2144916-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of the University of Pennsylvania (US) 2010-01-20 EP disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 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-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, PSEN1, PSEN2 CYP1B1 2285/4885BACE1 10/4885NCF1 828/4885

“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.