SCHEMBL5225322

SCHEMBL5225322

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccncc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
BAZ2B Q9UIF8 1/20 0.47
ROCK2 O75116 1/20 0.45
PRKG1 Q13976 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
CYP17A1 P05093 4/20 0.45
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
MEN1 O00255 1/20 0.43
AHR P35869 1/20 0.43
HDAC1 Q13547 2/20 0.42
METAP1 P53582 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL5224586 0.90 NAMPT (0.55) NAMPTBAZ2BBRD9TP53HDAC1
SCHEMBL2829960 0.86 CYP17A1 (0.56) NAMPTROCK2PRKG1CYP17A1KMT2A
SCHEMBL5226165 0.84 ATR (0.45) NAMPTBAZ2BBRD9CYP3A4KMT2A
SCHEMBL2832783 0.83 TRPV1 (0.60) NAMPTBRD9HDAC1METAP1TRPV1
SCHEMBL5228223 0.81 MDM4 (0.62) NAMPTKMT2ATP53MEN1AHR
SCHEMBL5225778 0.80 MEN1 (0.47) NAMPTBRD9KMT2ATP53MEN1
SCHEMBL1316379 0.80 HDAC1 (0.47) BAZ2BROCK2PRKG1CYP17A1CYP3A4
SCHEMBL22874499 0.79 P4HTM (0.65) KMT2AMEN1AHR
Methane SCHEMBL27601733 0.79 MDM4 (0.46) NAMPTBRD9KMT2ATP53MEN1
SCHEMBL5224340 0.79 HDAC1 (0.61) BAZ2BCYP3A4HDAC1

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 4 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
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 776/4885BAZ2B 66/4885ROCK2 4435/4885

“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.