SCHEMBL5720767

SCHEMBL5720767

NC(=O)c1c(CNC[C@H](O)[CH]Cc2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 3/20 0.36
PPARG P37231 1/20 0.36
BCHE P06276 3/20 0.35
BACE1 P56817 1/20 0.35
CNR2 P34972 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL4041089 0.84 MEN1 (0.35) GAAKDM4EBCHEAURKARPS6KB1
SCHEMBL4043224 0.84 BCHE (0.35) BCHEBACE1
SCHEMBL4044405 0.84 KDM4E (0.37) TXNRD1POLBKDM4EALDH1A1
SCHEMBL4038669 0.83 CD274 (0.38) ALDH1A1
SCHEMBL4041577 0.80 ALDH1A1 (0.38) GAAKDM4EALDH1A1TDP1BCHE
SCHEMBL5928554 0.79 BACE1 (0.38) TXNRD1KDM4EALDH1A1HTTTDP1
SCHEMBL4047555 0.77 SIRT1 (0.38) GAAKDM4EALDH1A1AURKARPS6KB1
SCHEMBL4040092 0.75 RPS6KB1 (0.37) KDM4EALDH1A1TDP1BCHERPS6KB1
SCHEMBL4045031 0.74 KDM1A (0.46) BCHEBACE1MAOB
SCHEMBL27648313 0.72 BCHE (0.56) GAAKDM4ETDP1BCHEBACE1

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-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US claimed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 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-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 TXNRD1 4550/4885POLB 1607/4885GAA 113/4885

“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.