SCHEMBL5162896

SCHEMBL5162896

COC(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
PTPN1 P18031 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL5162756 0.86 USP30 (0.56) USP30NPC1RAB9AHDAC3HDAC4
SCHEMBL5162894 0.86 USP30 (0.56) USP30NPC1RAB9AHDAC3HDAC4
SCHEMBL1351202 0.84 CTSL (0.56) USP30NPC1RAB9ATP53SMN1; SMN2
SCHEMBL5160368 0.81 CYP1A2 (0.56) USP30NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL6409791 0.80 CTSS (0.60) USP30HDAC4HDAC1HDAC8SSTR3
SCHEMBL5163314 0.80 CTSS (0.60) USP30HDAC4HDAC1HDAC8SSTR3
SCHEMBL6807421 0.80 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL6807425 0.80 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL4359032 0.80 SSTR3 (0.57) NPC1RAB9ATP53SMN1; SMN2HDAC3
SCHEMBL28372866 0.80 MEN1 (0.49) NPC1RAB9ATP53SMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed
US-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 US 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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP USP30 3092/4885NPC1 4/4885RAB9A 611/4885

“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.