SCHEMBL5453782

SCHEMBL5453782

O=C(CN1CCc2cccc(O)c2C1)N1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
TP53 P04637 1/20 0.55
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTT P42858 1/20 0.46
GAA P10253 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
SCHEMBL5458539 0.91 ALDH1A1 (0.58) MEN1KMT2AALDH1A1TP53BCHE
SCHEMBL5451057 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5468076 0.87 CYP3A4 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5452593 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL5453799 0.86 CYP3A4 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5451708 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5458572 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5459349 0.77 TP53 (0.43) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL5467983 0.76 CYP3A4 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5454473 0.75 CYP3A4 (0.48) MEN1KMT2AALDH1A1LMNAMAPT

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 MEN1 2444/4885KMT2A 2911/4885ALDH1A1 489/4885

“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.