SCHEMBL5176695

SCHEMBL5176695

Cn1cc(CC(NC(=O)CCCC(=O)O)C(=O)NCCCCNC(=N)N)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ IDO1 P14902 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPBWR1 P48145 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ GRB2 P62993 2/20 0.42
▸ TERT O14746 1/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 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
SCHEMBL5487472 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL5493873 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL5488639 0.78 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5487488 0.78 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5489872 0.78 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5488598 0.78 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8235598 0.76 PTPN1 (0.54) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL5496714 0.75 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5491147 0.75 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14186762 0.75 KDM4E (0.52) KDM4EHPGDHSD17B10MEN1KMT2A

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 KDM4E 4241/4885HPGD 1006/4885HSD17B10 160/4885

“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.

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