SCHEMBL5451822

SCHEMBL5451822

S=C(NC(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 8/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 9/20 0.53
HTT P42858 4/20 0.53
LMNA P02545 4/20 0.53
PHGDH O43175 1/20 0.53
MGLL Q99685 1/20 0.53
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
NOTUM Q6P988 1/20 0.46
TMPRSS2 O15393 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL5458527 0.80 KMT2A (0.48) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL13720129 0.77 SMN1; SMN2 (0.72) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL5450957 0.76 DRD1 (0.49) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL5451419 0.76 PHGDH (0.68) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL5448713 0.73 RAB9A (0.60) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL7623077 0.73 ALDH1A1 (0.76) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL22365690 0.73 PHGDH (0.64) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL5445346 0.72 ABHD6 (0.47) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL15308943 0.72 PHGDH (0.68) MAPTTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL5709008 0.71 MAOA (0.68) MAPTTDP1SMN1; SMN2KMT2AMEN1

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 MAPT 2361/4885TDP1 2099/4885SMN1; SMN2 76/4885

“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.