SCHEMBL5450017

SCHEMBL5450017

COc1cccc2c1CN(CC(=O)NC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 6/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
ACACB O00763 2/20 0.48
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5447851 0.90 ALDH1A1 (0.54) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL5453644 0.86 PRMT5 (0.45) KMT2AMEN1ALDH1A1KDM4EACACB
SCHEMBL5463285 0.84 MTNR1A (0.51) KMT2AMEN1ALDH1A1KDM4EACACB
SCHEMBL5459268 0.84 KMT2A (0.67) KMT2AL3MBTL1MEN1ALDH1A1GAA
SCHEMBL5451842 0.83 MTNR1A (0.44) KMT2AMEN1ALDH1A1KDM4EACACB
SCHEMBL5453473 0.81 KMT2A (0.53) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL5460738 0.80 CNR1 (0.51) KMT2AL3MBTL1MEN1ALDH1A1KDM4E
SCHEMBL5445261 0.80 NPC1 (0.57) KMT2AL3MBTL1MEN1ALDH1A1ACACB
SCHEMBL31652763 0.77 KMT2A (0.53) KMT2AMEN1ALDH1A1GAAACACB
SCHEMBL5449773 0.77 PRMT5 (0.49) KMT2AMEN1ALDH1A1KDM4ETSHR

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
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A KMT2A 2911/4885L3MBTL1 4144/4885MEN1 2444/4885

“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.