SCHEMBL5456486

SCHEMBL5456486

O=C(CCl)NC(c1ccccc1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.57
S1PR4 O95977 1/20 0.57
S1PR3 Q99500 1/20 0.57
ALDH1A1 P00352 6/20 0.50
HTT P42858 2/20 0.49
NCOA1 Q15788 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
EPHX2 P34913 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 2/20 0.44
DRD2 P14416 2/20 0.43
SLC6A9 P48067 2/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL4665022 0.82 ALDH1A1 (0.62) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL31644092 0.81 S1PR3 (0.66) S1PR2S1PR4S1PR3ALDH1A1HTT
SCHEMBL17530039 0.80 S1PR2 (0.58) S1PR2S1PR4S1PR3ALDH1A1HTT
SCHEMBL17530040 0.80 S1PR2 (0.58) S1PR2S1PR4S1PR3ALDH1A1HTT
SCHEMBL19195652 0.79 S1PR3 (0.71) S1PR2S1PR4S1PR3ALDH1A1LMNA
SCHEMBL12614850 0.79 S1PR3 (0.71) S1PR2S1PR4S1PR3ALDH1A1LMNA
SCHEMBL1065398 0.78 CNR2 (0.56) S1PR2S1PR4S1PR3ALDH1A1DRD2
SCHEMBL9823534 0.76 ALDH1A1 (0.50) S1PR2S1PR4S1PR3ALDH1A1LMNA
SCHEMBL10210660 0.76 SLC6A2 (0.59) S1PR2S1PR4S1PR3ALDH1A1HTT
SCHEMBL6752935 0.74 KMT2A (0.47) S1PR2S1PR4S1PR3ALDH1A1KMT2A

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 S1PR2 1066/4885S1PR4 1444/4885S1PR3 1571/4885

“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.