SCHEMBL4845811

SCHEMBL4845811

Cc1cnc2[nH]c(-c3ccc(OCC(CNCc4ccc(OC(=O)C(F)(F)F)cc4)OC(=O)C(F)(F)F)cc3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
CHEK2 O96017 2/20 0.33

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 SCHEMBL4845805 0.82 NPC1 (0.45) NPC1
SCHEMBL5260640 0.78 CHEK2 (0.34) HDAC6CHEK2
SCHEMBL5259366 0.78 NPC1 (0.49) NPC1
SCHEMBL4834997 0.74 HDAC6 (0.36) HDAC6CHEK2
SCHEMBL4838292 0.74 HDAC3 (0.34) HDAC6CHEK2
SCHEMBL4843544 0.73 CHEK2 (0.34) NPC1HDAC6CHEK2
Trifluoroacetic Acid SCHEMBL5258414 0.70 MEN1 (0.43)
Trifluoroacetic Acid SCHEMBL4839654 0.70 HDAC3 (0.48) HDAC6CHEK2
Trifluoroacetic Acid SCHEMBL4844245 0.70 MEN1 (0.47) NPC1
SCHEMBL4840576 0.70 HDAC6 (0.35) HDAC6CHEK2

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 NPC1 2655/4885HDAC6 981/4885CHEK2 309/4885

“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.