SCHEMBL5458539

SCHEMBL5458539

O=C(CN1CCc2cccc(O)c2C1)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BCHE P06276 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL5453782 0.91 MEN1 (0.56) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5468076 0.89 CYP3A4 (0.48) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5453799 0.89 CYP3A4 (0.48) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5452593 0.89 MEN1 (0.65) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5458572 0.85 ALDH1A1 (0.54) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5459349 0.84 TP53 (0.43) ALDH1A1USP2ALOX15MEN1KMT2A
SCHEMBL5451057 0.78 MEN1 (0.55) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5467983 0.77 CYP3A4 (0.48) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5454473 0.77 CYP3A4 (0.48) ALDH1A1USP2ALOX15CYP3A4CYP2D6
SCHEMBL5750755 0.76 DRD1 (0.44) ALDH1A1MEN1KMT2AGAA

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 ALDH1A1 489/4885USP2 4529/4885ALOX15 2598/4885

“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.