SCHEMBL4840576

SCHEMBL4840576

CN(CCOC(=O)C(F)(F)F)CC(COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.35
CHEK2 O96017 2/20 0.34
ACHE P22303 5/20 0.33
HDAC3 O15379 8/20 0.32
HDAC4 P56524 8/20 0.32
HDAC1 Q13547 8/20 0.32
HDAC7 Q8WUI4 8/20 0.32
HDAC2 Q92769 8/20 0.32
HDAC10 Q969S8 8/20 0.32
HDAC11 Q96DB2 8/20 0.32
HDAC8 Q9BY41 8/20 0.32
HDAC9 Q9UKV0 8/20 0.32
HDAC5 Q9UQL6 8/20 0.32
TRPV1 Q8NER1 1/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4834997 0.84 HDAC6 (0.36) HDAC6CHEK2HDAC3HDAC4HDAC1
SCHEMBL4838292 0.83 HDAC3 (0.34) HDAC6CHEK2HDAC3HDAC4HDAC1
SCHEMBL4844169 0.82 CHEK2 (0.37) CHEK2ACHE
SCHEMBL4843544 0.81 CHEK2 (0.34) HDAC6CHEK2HDAC3HDAC4HDAC1
SCHEMBL5260640 0.81 CHEK2 (0.34) HDAC6CHEK2HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL4840566 0.79 ALDH1A1 (0.39) HDAC6CHEK2KMT2A
SCHEMBL4842378 0.78 CHEK2 (0.38) CHEK2
Trifluoroacetic Acid SCHEMBL4844122 0.77 HDAC6 (0.42) HDAC6CHEK2ACHEHDAC3HDAC4
SCHEMBL4841843 0.77 CHEK2 (0.32) HDAC6CHEK2HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL4842600 0.76 CYP2D6 (0.40) MEN1KMT2A

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-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 HDAC6 981/4885CHEK2 309/4885ACHE 1390/4885

“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.