SCHEMBL5453697

SCHEMBL5453697

COc1cccc2c1CN(CC(=O)NCC[S+]([O-])C(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.43
DRD2 P14416 1/20 0.42
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5451891 0.85 MTNR1A (0.48) KDM4EALDH1A1LMNAKMT2ADRD2
SCHEMBL5453861 0.83 DRD2 (0.48) KDM4EALDH1A1LMNAKMT2ADRD2
SCHEMBL5449773 0.83 PRMT5 (0.49) KDM4EALDH1A1LMNAKMT2ADRD2
SCHEMBL5789543 0.83 KDM4E (0.52) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL5447909 0.82 DRD2 (0.45) KDM4EALDH1A1LMNAKMT2ADRD2
SCHEMBL5456171 0.81 KMT2A (0.43) KDM4EALDH1A1LMNAKMT2ADRD2
SCHEMBL5456077 0.81 HTR1A (0.45) KDM4EALDH1A1LMNAKMT2ADRD2
SCHEMBL5447851 0.81 ALDH1A1 (0.54) KDM4EALDH1A1LMNAKMT2ADRD2
SCHEMBL5445261 0.80 NPC1 (0.57) ALDH1A1KMT2ADRD2MEN1POLB
SCHEMBL5449619 0.80 CNR1 (0.47) KDM4EALDH1A1LMNAKMT2ADRD2

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 KDM4E 1446/4885ALDH1A1 489/4885LMNA 1282/4885

“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.