SCHEMBL5226516

SCHEMBL5226516

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
CCR8 P51685 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ACKR3 P25106 2/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
TGFBR1 P36897 1/20 0.41
STS P08842 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6204313 0.90 HDAC1 (0.41) NAMPTKDM4EPKMPOLBGPR119
SCHEMBL5226822 0.82 MAPK8 (0.46) NAMPTGPR119ACKR3
SCHEMBL2830416 0.81 NAMPT (0.59) NAMPTKDM4EPKMPOLBGPR119
SCHEMBL31283565 0.79 GPR119 (0.54) NAMPTKDM4EGPR119PTPN2PTPN1
SCHEMBL15376450 0.79 GPR119 (0.51) NAMPTKDM4EPKMPOLBGPR119
SCHEMBL8292235 0.78 HDAC1 (0.58)
SCHEMBL5223668 0.77 NAMPT (0.49) NAMPTACKR3
SCHEMBL3830416 0.77 CCR8 (0.49) NAMPTKDM4EPKMGPR119CCR8
SCHEMBL6528319 0.77 HDAC1 (0.63) NAMPTKDM4EPKMCCR8KMT2A
SCHEMBL5223801 0.75 MAPT (0.45) KDM4EPOLBMAPTGAASMN1; SMN2

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 776/4885KDM4E 86/4885PKM 1172/4885

“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.