SCHEMBL4842267

SCHEMBL4842267

CCN1CCCC(NCC(O)COc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HRH1 P35367 1/20 0.36
CCR3 P51677 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 SCHEMBL4845728 0.94 LMNA (0.40) CYP3A4CYP2D6LMNAMEN1KMT2A
SCHEMBL4840752 0.86 TBK1 (0.44) CYP2D6TBK1
SCHEMBL4843854 0.86 KMT2A (0.48) CYP3A4CYP2D6LMNAMEN1KMT2A
SCHEMBL4838134 0.82 CYP3A4 (0.47) CYP3A4CYP2D6LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4840418 0.82 TBK1 (0.39) MEN1KMT2ATBK1ALDH1A1
SCHEMBL5256126 0.82 CYP3A4 (0.47) CYP3A4CYP2D6LMNAMEN1KMT2A
SCHEMBL4844690 0.81 MEN1 (0.58) CYP2D6MEN1KMT2A
SCHEMBL5259626 0.81 CYP3A4 (0.44) CYP3A4CYP2D6LMNAMEN1KMT2A
SCHEMBL4839497 0.81 NPSR1 (0.54) CYP2D6KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5257088 0.80 CYP3A4 (0.45) CYP3A4CYP2D6LMNAMEN1KMT2A

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 5 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
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 CYP3A4 1588/4885CYP2D6 1106/4885LMNA 1541/4885

“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.