SCHEMBL5503230

SCHEMBL5503230

NCCCCNc1c(C(=O)NC(CCC(=O)O)C(N)=O)cnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 5/20 0.39
MMP12 P39900 1/20 0.38

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
SCHEMBL5510249 0.78 MEN1 (0.46) MEN1PKMKMT2A
SCHEMBL5507655 0.75 ACHE (0.43) MEN1PKMKMT2AACHE
SCHEMBL5510251 0.72 TOP2A (0.48) MEN1PKMKMT2AACHE
SCHEMBL5506586 0.72 KMT2A (0.76) MEN1PKMKMT2A
SCHEMBL5501524 0.71 KMT2A (0.74) MEN1PKMKMT2A
SCHEMBL5505918 0.68 KMT2A (0.77) MEN1PKMKMT2A
SCHEMBL5502811 0.68 MEN1 (0.47) MEN1PKMKMT2AACHE
SCHEMBL10023117 0.68 PADI1 (0.60) HPGDSKMT2AMMP12
SCHEMBL2052464 0.68 MEN1 (0.57) MEN1PKMKMT2A
SCHEMBL5508099 0.67 MEN1 (0.47) MEN1PKMKMT2AACHE

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 HPGDS 128/4885MEN1 4136/4885PKM 1796/4885

“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.