SCHEMBL4845824

SCHEMBL4845824

OC[C@@H](NCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HDAC3 O15379 10/20 0.39
HDAC4 P56524 10/20 0.39
HDAC1 Q13547 10/20 0.39
HDAC7 Q8WUI4 10/20 0.39
HDAC2 Q92769 10/20 0.39
HDAC10 Q969S8 10/20 0.39
HDAC11 Q96DB2 10/20 0.39
HDAC8 Q9BY41 10/20 0.39
HDAC6 Q9UBN7 10/20 0.39
HDAC9 Q9UKV0 10/20 0.39
HDAC5 Q9UQL6 10/20 0.39
CYP1B1 Q16678 1/20 0.37
RPS6KB1 P23443 1/20 0.36
EGFR P00533 3/20 0.36
ACHE P22303 2/20 0.36
CHEK2 O96017 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 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 SCHEMBL4834933 0.94 HDAC6 (0.39) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL4842237 0.87 ACHE (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4841865 0.84 ACHE (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4837748 0.83 TRPV3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL4841812 0.82 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4843809 0.81 CHEK2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL4834060 0.80 KDM4E (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4839100 0.79 PPARG (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL4834743 0.79 TRPV3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4839519 0.78 ACHE (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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 IDO1 1356/4885TDO2 4354/4885HDAC3 919/4885

“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.