SCHEMBL2223356

SCHEMBL2223356

CC(C)(C)[Si](C)(C)OCc1ccc2cc(N(c3ccc4nc(CO[Si](C)(C)C(C)(C)C)ccc4c3)c3ccc4nc(CO[Si](C)(C)C(C)(C)C)ccc4c3)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.33
CYSLTR1 Q9Y271 3/20 0.33
TERT O14746 2/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
GPBAR1 Q8TDU6 5/20 0.32
APP P05067 1/20 0.32
CYP1A2 P05177 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL14925244 0.95 PSMB5 (0.33) PDE10ACYSLTR1TERTCYSLTR2GPBAR1
SCHEMBL13825563 0.84 BACE1 (0.44) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14914727 0.82 KDM4E (0.46) CYSLTR1CYSLTR2GPBAR1
SCHEMBL12516462 0.78 CYSLTR1 (0.54) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL18109897 0.78 GPBAR1 (0.49) PDE10ACYSLTR1GPBAR1
SCHEMBL9983520 0.75 BACE1 (0.41) CYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL16621371 0.74 ALDH1A1 (0.46)
SCHEMBL16557013 0.74 GPBAR1 (0.37) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL12517318 0.73 PDE10A (0.35) PDE10ACYSLTR1TERTCYSLTR2GPBAR1
SCHEMBL14925219 0.73 PDE10A (0.40) PDE10ACYSLTR1CYSLTR2GPBAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
EP-2523937-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES Centre National De La Recherche Scientifique (FR) 2012-11-21 EP disclosed
WO-2011086469-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-21 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-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses NQO2, ACHE, NQO1 PDE10A 1447/4885CYSLTR1 1563/4885TERT 1636/4885

“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.