SCHEMBL4841865

SCHEMBL4841865

CC(CO)NCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
CHEK2 O96017 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HDAC6 Q9UBN7 8/20 0.37
HDAC3 O15379 7/20 0.37
HDAC4 P56524 7/20 0.37
HDAC1 Q13547 7/20 0.37
HDAC7 Q8WUI4 7/20 0.37
HDAC2 Q92769 7/20 0.37
HDAC10 Q969S8 7/20 0.37
HDAC11 Q96DB2 7/20 0.37
HDAC8 Q9BY41 7/20 0.37
HDAC9 Q9UKV0 7/20 0.37
HDAC5 Q9UQL6 7/20 0.37
PLG P00747 3/20 0.36
PLAU P00749 3/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4834060 0.93 KDM4E (0.39) CHEK2KDM4EHDAC6HDAC3HDAC4
SCHEMBL4837748 0.90 TRPV3 (0.38) ACHECHEK2HDAC6HDAC3HDAC4
SCHEMBL4834900 0.85 MAPT (0.45)
SCHEMBL4843809 0.85 CHEK2 (0.50) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL4845824 0.84 IDO1 (0.40) ACHECHEK2HDAC6HDAC3HDAC4
SCHEMBL4842237 0.84 ACHE (0.41) ACHEHDAC6HDAC3HDAC4HDAC1
SCHEMBL4839519 0.84 ACHE (0.41) ACHEHDAC6HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL4834743 0.84 TRPV3 (0.39) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL4842233 0.84 KDM4E (0.39) ACHEKDM4EHDAC6HDAC3HDAC4
SCHEMBL4842957 0.81 JAK1 (0.40) ACHEKDM4EHDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO claimed
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
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 ACHE 1390/4885CHEK2 309/4885KDM4E 2903/4885

“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.