SCHEMBL5505446

SCHEMBL5505446

N=C(N)NCCCC(N)c1c(C(=O)O)cnc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
TACR1 P25103 1/20 0.33
NSD2 O96028 1/20 0.33
PDE4B Q07343 2/20 0.32
ATG4B Q9Y4P1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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 0.79 MEN1 (0.47) MAPTNPSR1MEN1KMT2APKM
SCHEMBL5502811 0.78 MEN1 (0.47) MAPTNPSR1MEN1KMT2APKM
SCHEMBL5506961 0.76 MEN1 (0.49) ALDH1A1SMN1; SMN2MAPTNPSR1MEN1
SCHEMBL5507655 0.69 ACHE (0.43) MEN1KMT2APKM
SCHEMBL31080649 0.69 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2MAPTNPSR1
Arginine SCHEMBL2485034 0.68 OTC (0.40) HTTKMT2A
Arginine SCHEMBL4728793 0.68 OTC (0.40) HTTKMT2A
Arginine SCHEMBL4208935 0.68 ALDH1A1 (0.45) HTTALDH1A1SMN1; SMN2MAPTNPSR1
Arginine SCHEMBL5606089 0.68 ALDH1A1 (0.45) HTTALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL14250016 0.67 CYP2C9 (0.46) MAPTMEN1KMT2A

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 HTT 422/4885ALDH1A1 2181/4885SMN1; SMN2 4780/4885

“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.