SCHEMBL5502811

SCHEMBL5502811

N=C(N)NCCCCCNc1c(C(=O)O)cnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 8/20 0.42
BCHE P06276 6/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL5508099 0.97 MEN1 (0.47) MEN1PKMKMT2AACHEPOLB
SCHEMBL5506961 0.92 MEN1 (0.49) MEN1PKMKMT2AACHEBCHE
SCHEMBL5507655 0.86 ACHE (0.43) MEN1PKMKMT2AACHEBCHE
SCHEMBL2052464 0.82 MEN1 (0.57) MEN1PKMKMT2APOLBRAD52
SCHEMBL5981802 0.79 MEN1 (0.50) MEN1PKMKMT2APOLBRAD52
SCHEMBL5505446 0.78 HTT (0.34) MEN1PKMKMT2AMAPTNPSR1
SCHEMBL1950078 0.75 POLB (0.46) MEN1PKMKMT2AACHEBCHE
SCHEMBL5501450 0.74 KMT2A (0.76) MEN1PKMKMT2APOLBRAD52
Pyrimidine SCHEMBL5524828 0.74 MEN1 (0.46) MEN1PKMKMT2APOLBRAD52
SCHEMBL3864066 0.74 ACHE (0.49) ACHEBCHE

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 6 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 claimed
US-20060009487-A1 Heterocyclic derivatives for treatment of hyperlipidemia and related diseases SIRCAR JAGADISH C 2006-01-12 US claimed
WO-2005123686-A1 HETEROCYCLIC DERIVATIVES FOR TREATMENT OF HYPERLIPIDEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO claimed
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 MEN1 4136/4885PKM 1796/4885KMT2A 3106/4885

“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.