SCHEMBL3936152

SCHEMBL3936152

FC(F)(F)c1cccc2nc(CBr)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
BACE1 P56817 1/20 0.42
C1R P00736 1/20 0.39
USP1 O94782 7/20 0.38
WDR48 Q8TAF3 7/20 0.38
CCR1 P32246 1/20 0.37
AXL P30530 1/20 0.37
PDE4B Q07343 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
ELANE P08246 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACP1 P24666 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
SCHEMBL17179172 0.83 AR (0.46) ARBACE1C1RUSP1WDR48
SCHEMBL4307906 0.77 PDE10A (0.44) BACE1C1RCCR1PDE4BELANE
SCHEMBL26090480 0.77 BACE1 (0.46) ARBACE1C1RUSP1WDR48
SCHEMBL2706604 0.75 BACE1 (0.56) BACE1C1RCCR1AXLCYP1A2
SCHEMBL30106725 0.75 BACE1 (0.47) ARBACE1C1RAXLPDE4B
SCHEMBL29518391 0.75 CCR1 (0.57) CCR1ALDH1A1L3MBTL1
SCHEMBL203015 0.74 ELANE (0.44) BACE1CCR1CYP1A2ELANEALDH1A1
SCHEMBL3922857 0.74 AR (0.52) ARBACE1C1RUSP1WDR48
SCHEMBL12803449 0.74 BACE1 (0.46) ARBACE1C1RUSP1WDR48
SCHEMBL29371858 0.74 BACE1 (0.46) ARBACE1C1RUSP1WDR48

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009633-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
US-5232916-A Inhibitors of leukotriene synthesis MERCK FROSST CANADA, INC. (CA) 1993-08-03 US disclosed
US-5102881-A Leukotriene biosynthesis inhibitor MERCK FROSST CANADA, INC. (CA) 1992-04-07 US disclosed
EP-0349062-A1 Quinoline ether alkanoic acid MERCK FROSST CANADA INC. (CA) 1990-01-03 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-20090018163-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 AR 1719/4885BACE1 914/4885C1R 2109/4885

“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.