SCHEMBL4842233

SCHEMBL4842233

CC(O)CNCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
ATM Q13315 1/20 0.38
HDAC6 Q9UBN7 8/20 0.38
HDAC3 O15379 7/20 0.38
HDAC4 P56524 7/20 0.38
HDAC1 Q13547 7/20 0.38
HDAC7 Q8WUI4 7/20 0.38
HDAC2 Q92769 7/20 0.38
HDAC10 Q969S8 7/20 0.38
HDAC11 Q96DB2 7/20 0.38
HDAC8 Q9BY41 7/20 0.38
HDAC9 Q9UKV0 7/20 0.38

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 SCHEMBL5261300 0.93 KDM4E (0.42) KDM4EMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL6218763 0.88 CYP3A4 (0.41)
SCHEMBL4841793 0.87 MAPT (0.41)
SCHEMBL4842957 0.85 JAK1 (0.40) KDM4EACHEHDAC6HDAC3HDAC4
SCHEMBL4841671 0.84 CYP3A4 (0.43)
SCHEMBL4839519 0.84 ACHE (0.41) ACHECHRNB4CHRNA3CHRNA7HDAC6
SCHEMBL4841865 0.84 ACHE (0.39) KDM4EACHEHDAC6HDAC3HDAC4
SCHEMBL4843809 0.82 CHEK2 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4837748 0.82 TRPV3 (0.38) ACHECHRNB4CHRNA3CHRNA7HDAC6
Trifluoroacetic Acid SCHEMBL5260635 0.82

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 7 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

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 KDM4E 2903/4885MEN1 2592/4885RAB9A 1616/4885

“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.