SCHEMBL5452593

SCHEMBL5452593

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
GAA P10253 2/20 0.65
HTT P42858 1/20 0.65
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
HPGD P15428 1/20 0.55
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
FPR2 P25090 1/20 0.46
CYP2D6 P10635 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 0.89 ALDH1A1 (0.58) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL5454426 0.88 MEN1 (0.61) MEN1KMT2AGAAHTTLMNA
SCHEMBL5453782 0.86 MEN1 (0.56) MEN1KMT2AGAAHTTLMNA
SCHEMBL5468076 0.85 CYP3A4 (0.48) MEN1KMT2AGAAHTTLMNA
SCHEMBL5453799 0.84 CYP3A4 (0.48) MEN1KMT2AGAAHTTLMNA
SCHEMBL5461510 0.81 MEN1 (0.64) MEN1KMT2AGAAHTTLMNA
SCHEMBL5332951 0.78 MEN1 (0.79) MEN1KMT2AGAAHTTLMNA
SCHEMBL5458572 0.75 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5459349 0.74 TP53 (0.43) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL5451057 0.74 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1KDM4E

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 2911/4885GAA 3285/4885

“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.