SCHEMBL5451417

SCHEMBL5451417

O=C(S)N1CCc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.68
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
MAPT P10636 1/20 0.66
TAAR1 Q96RJ0 1/20 0.66
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
ACE P12821 1/20 0.58
TMPRSS2 O15393 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAOA P21397 1/20 0.58
SLC6A2 P23975 1/20 0.58

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
SCHEMBL27901981 0.84 NOTUM (0.72) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL15308943 0.82 PHGDH (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL322928 0.82 NOTUM (0.70) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL4290743 0.82 NOTUM (0.70) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL7717627 0.81 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
Hydrochloric Acid SCHEMBL21496871 0.81 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL29590995 0.81 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL3210469 0.81 NOTUM (1.00) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL16907562 0.81 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL546055 0.81 NOTUM (0.68) NOTUMKMT2AMEN1MAPTTAAR1

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 NOTUM 3072/4885KMT2A 2911/4885MEN1 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.