SCHEMBL5501700

SCHEMBL5501700

CC(C)(C)OC(=O)NCCCCNc1c(C(=O)NCCCC(=O)OCc2ccccc2)cnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 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
SCHEMBL27678380 0.87 MERTK (0.44) TOP2AMAPTMAPK1MEN1KMT2A
SCHEMBL5510251 0.87 TOP2A (0.48) TOP2AMAPTMEN1KMT2APKM
SCHEMBL5507273 0.83 TOP2A (0.38) TOP2AL3MBTL1MAPTPOLBMAPK1
SCHEMBL7431128 0.80 HTT (0.60) L3MBTL1MAPTPOLBMAPK1MEN1
SCHEMBL4924340 0.79 HTT (0.56) L3MBTL1MAPTPOLBMAPK1MEN1
SCHEMBL23777326 0.78 TPSAB1 (0.56) L3MBTL1MAPTPOLBMAPK1MEN1
SCHEMBL2417332 0.78 TPSAB1 (0.56) L3MBTL1MAPTPOLBMAPK1MEN1
SCHEMBL5505490 0.76 KMT2A (0.65) L3MBTL1MAPTPOLBMAPK1MEN1
SCHEMBL30503514 0.76 BRD4 (0.47) MEN1KMT2A
SCHEMBL29475728 0.76 BRD4 (0.47) MEN1KMT2A

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
CN-1968928-A Heterocyclic derivatives for treatment of hyperlipidemia and related diseases AVANIR PHARMACEUTICALS (US) 2007-05-23 CN disclosed
EP-1753724-A1 HETEROCYCLIC DERIVATIVES FOR TREATMENT OF HYPERLIPIDEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
US-20060009487-A1 Heterocyclic derivatives for treatment of hyperlipidemia and related diseases SIRCAR JAGADISH C 2006-01-12 US disclosed
WO-2005123686-A1 HETEROCYCLIC DERIVATIVES FOR TREATMENT OF HYPERLIPIDEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 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-20060009487-A1 Heterocyclic derivatives for treatment of hyperlipidemia and related diseases LDLR, NPC1L1, CETP TOP2A 2540/4885L3MBTL1 2010/4885MAPT 3202/4885

“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.