SCHEMBL5507655

SCHEMBL5507655

N=C(N)NCCCCNc1c(C(=O)NCCCC(=O)O)cnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.43
PPARG P37231 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
BCHE P06276 8/20 0.41
BACE1 P56817 2/20 0.41
HIF1A Q16665 1/20 0.40
TOP2A P11388 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
SCHEMBL5502811 0.86 MEN1 (0.47) ACHEMEN1KMT2APKMBCHE
SCHEMBL5508099 0.85 MEN1 (0.47) ACHEMEN1KMT2APKMTOP2A
SCHEMBL5506961 0.80 MEN1 (0.49) ACHEMEN1KMT2APKMBCHE
SCHEMBL5510251 0.77 TOP2A (0.48) ACHEMEN1KMT2APKMTOP2A
SCHEMBL5503230 0.75 HPGDS (0.41) ACHEMEN1KMT2APKM
SCHEMBL5501700 0.72 TOP2A (0.46) MEN1KMT2APKMTOP2A
SCHEMBL3864066 0.72 ACHE (0.49) ACHEBCHE
SCHEMBL2052464 0.71 MEN1 (0.57) MEN1KMT2APKMTOP2A
SCHEMBL1950078 0.71 POLB (0.46) ACHEMEN1KMT2APKMBCHE
SCHEMBL15867118 0.71 POLB (0.67) ACHEMEN1KMT2ABCHETOP2A

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-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 ACHE 3585/4885PPARG 148/4885MEN1 4136/4885

“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.