SCHEMBL5227380

SCHEMBL5227380

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cnc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
METAP1 P53582 1/20 0.45
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.43
MCL1 Q07820 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TRPA1 O75762 1/20 0.42
ATR Q13535 1/20 0.41
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
MAPT P10636 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
SCHEMBL31390483 0.84 NPC1 (0.43) SMN1; SMN2NPC1METAP1MEN1KMT2A
SCHEMBL30127947 0.83 MCL1 (0.61) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL5229725 0.83 MEN1 (0.45) SMN1; SMN2NPC1METAP1MEN1KMT2A
SCHEMBL5228223 0.83 MDM4 (0.62) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL18088829 0.83 MCL1 (0.61) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL29768539 0.82 P4HTM (0.53) SMN1; SMN2NPC1METAP1MEN1KMT2A
SCHEMBL3716281 0.82 P4HTM (0.53) SMN1; SMN2NPC1METAP1MEN1KMT2A
SCHEMBL22874342 0.81 JUN (0.46) NPC1METAP1JUNNFKB1NFKB2
SCHEMBL2384644 0.81 HDAC1 (0.47) METAP1MEN1KMT2AAHRRXFP1
SCHEMBL2385252 0.81 MEN1 (0.55) SMN1; SMN2NPC1METAP1MEN1KMT2A

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 SMN1; SMN2 3288/4885NPC1 1493/4885METAP1 1553/4885

“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.