SCHEMBL5223668

SCHEMBL5223668

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
PDK4 Q16654 1/20 0.48
GRM1 Q13255 10/20 0.46
GRM5 P41594 10/20 0.46
ACKR3 P25106 1/20 0.43
HTR6 P50406 1/20 0.42
JAK1 P23458 1/20 0.40
BTK Q06187 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL6206105 0.88 NAMPT (0.40) NAMPTPDK4GRM1GRM5ACKR3
SCHEMBL2831127 0.83 NAMPT (0.59) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL24669280 0.83 NAMPT (0.62) NAMPTPDK4GRM1GRM5ACKR3
SCHEMBL24667826 0.81 NAMPT (0.49) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL29803404 0.81 NAMPT (0.49) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL29803366 0.81 WDR5 (0.49) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL24670346 0.81 NAMPT (0.48) NAMPTPDK4GRM1GRM5ACKR3
SCHEMBL24671087 0.80 PDK4 (0.50) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL31283668 0.80 PDK4 (0.52) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL1061832 0.80 PDK4 (0.52) NAMPTPDK4GRM1GRM5HTR6

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 776/4885PDK4 829/4885GRM1 3537/4885

“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.