SCHEMBL5224586

SCHEMBL5224586

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2cccnc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.55
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.47
HDAC2 Q92769 2/20 0.47
BAZ2B Q9UIF8 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
NTRK1 P04629 1/20 0.44
METAP1 P53582 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5225322 0.90 NAMPT (0.47) NAMPTBAZ2BHDAC1BRD9METAP1
SCHEMBL2828638 0.88 NAMPT (0.61) NAMPTMAPTHDAC1NTRK1
SCHEMBL5226165 0.83 ATR (0.45) NAMPTHDAC2BAZ2BHDAC1HDAC3
SCHEMBL5224230 0.82 NAMPT (0.48) NAMPTALDH1A1ALOX15HDAC2HDAC1
SCHEMBL2828932 0.82 NAMPT (0.52) NAMPTSCN5ASCN9A
SCHEMBL5228223 0.80 MDM4 (0.62) NAMPTALDH1A1HTTL3MBTL1MAPT
SCHEMBL2832783 0.80 TRPV1 (0.60) NAMPTSCN5ASCN9AHDAC1BRD9
SCHEMBL5227360 0.79 HDAC1 (0.71) NAMPTHDAC2HDAC1HDAC3
SCHEMBL5225778 0.79 MEN1 (0.47) NAMPTHDAC1BRD9METAP1TP53
SCHEMBL3660909 0.79 ABL1 (0.70) HDAC2HDAC1HDAC3

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-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
CN-1662236-A Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 NAMPT 776/4885SCN5A 1296/4885SCN9A 1192/4885

“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.