SCHEMBL13825564

SCHEMBL13825564

CC(C)(C)[SiH2]OC(C)(C)c1ccc2cc(Br)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
NT5E P21589 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR2 O60603 1/20 0.32
NCEH1 Q6PIU2 1/20 0.31
CYP2A6 P11509 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
SCHEMBL9983523 0.90 BACE1 (0.41) BACE1NT5ECYP2C19
SCHEMBL2223359 0.82
SCHEMBL14914729 0.82 KDM4E (0.46) BACE1CYP3A4
SCHEMBL10220222 0.77 BACE1 (0.53) BACE1NT5ECYP3A4CYP2C9CYP2C19
SCHEMBL28027280 0.77 BACE1 (0.42) BACE1NT5ECYP3A4CYP2C9CYP2C19
SCHEMBL2556988 0.74 BACE1 (0.50) BACE1NT5ECYP3A4CYP2C9CYP2C19
SCHEMBL2003231 0.73 BACE1 (0.57) BACE1NT5ECYP3A4CYP2C9CYP2C19
SCHEMBL508438 0.73 GBA1 (0.33)
SCHEMBL263494 0.72 BACE1 (0.47) BACE1NT5ECYP3A4CYP2C9CYP2C19
SCHEMBL264392 0.71 BACE1 (0.46) BACE1NT5ECYP3A4CYP2C9CYP2C19

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 4 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

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 BACE1 1792/4885NT5E 146/4885CYP3A4 133/4885

“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.