SCHEMBL2964459

SCHEMBL2964459

O=C(C[S+]([O-])Cc1ccc2oc3ccc(Cl)cc3c2c1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
DPP4 P27487 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
PTGS2 P35354 1/20 0.36
HRH4 Q9H3N8 3/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 3/20 0.34
AHR P35869 1/20 0.34
TTR P02766 1/20 0.34
NQO1 P15559 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2958188 0.88 DPP4 (0.40) DPP4NQO1KMT2A
SCHEMBL2952475 0.88 ALOX12 (0.40) HTR2AHTR2BHRH4KDM4EALDH1A1
SCHEMBL2960783 0.85 HTR2A (0.47) HTR2AHTR2BHRH4KDM4EHSD17B10
SCHEMBL2965869 0.74 DPP4 (0.36) DPP4HRH4KDM4ENPC1RAB9A
SCHEMBL2954882 0.73 ALDH1A1 (0.50) HTR2AHTR2BKDM4EHSD17B10ALDH1A1
SCHEMBL2964818 0.73 KDM4E (0.51) KDM4EHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL2414782 0.72 KMT2A (0.41) NPC1KMT2A
SCHEMBL4671683 0.67 GFER (0.61) SCN5ASCN2ASCN10AALDH1A1NPC1
SCHEMBL2958961 0.66 LMNA (0.49) KDM4EHSD17B10ALDH1A1TTRNPC1
SCHEMBL2964860 0.66 ALDH1A1 (0.52) HSD17B10ALDH1A1NPC1RAB9ATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 EP 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A SCN5A 720/4885SCN2A 890/4885SCN10A 630/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A SCN5A 720/4885SCN2A 890/4885SCN10A 630/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A SCN5A 720/4885SCN2A 890/4885SCN10A 630/4885

“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.