SCHEMBL150568

SCHEMBL150568

CCN(CC)c1ccc(N)c(S(=O)(O)=S)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.51
ALDH1A1 P00352 11/20 0.44
L3MBTL1 Q9Y468 7/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
HPGD P15428 4/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 4/20 0.42
CYP3A4 P08684 2/20 0.42
PSMD14 O00487 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 6/20 0.38
TERT O14746 1/20 0.38
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5512906 0.88 S100B (0.38) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10346490 0.87 S100B (0.54) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL150487 0.86 ADRA2A (0.37) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL128645 0.84 S100B (0.47) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30612673 0.82 NSD2 (0.42) ALDH1A1MEN1KMT2AHPGDCYP2C9
SCHEMBL743428 0.82 NSD2 (0.42) ALDH1A1MEN1KMT2AHPGDCYP2C9
SCHEMBL151025 0.82 NSD2 (0.42) ALDH1A1MEN1KMT2AHPGDCYP2C9
SCHEMBL2430669 0.81 S100B (0.54) S100BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL152875 0.81 S100B (0.31) S100BLMNASMN1; SMN2
SCHEMBL972851 0.78 S100B (0.47) S100BALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430007-B1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LAB LTD (SG) 2014-02-12 EP disclosed
EP-2547668-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS Pharmalucia Ltd (GB) 2013-01-23 EP disclosed
US-20120328530-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS PHARMALUCIA LIMITED (GB) 2012-12-27 US disclosed
EP-2430007-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS Wista Laboratories Ltd. (SG) 2012-03-21 EP disclosed
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2012-03-08 US disclosed
US-20110306576-A1 COMPOUNDS AND METHODS RELATING THERETO PHARMALUCIA LIMITED (GB) 2011-12-15 US disclosed
WO-2011114137-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS PHARMALUCIA LIMITED (GB) 2011-09-22 WO disclosed
WO-2010130977-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2010-11-18 WO disclosed
WO-2010097626-A2 COMPOUNDS AND METHODS RELATING THERETO PHARMALUCIA LIMITED (GB) 2010-09-02 WO disclosed
WO-2009047534-A2 FUSED PHENOTHIAZINIUM COMPOUNDS, PREPARATION METHOD THEREOF AND USE AS PHOTOANTIMICROBIALS PHARMALUCIA LTD (GB) 2009-04-16 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 (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-20110306576-A1 COMPOUNDS AND METHODS RELATING THERETO QSOX1, PYM1, SQOR S100B 3084/4885ALDH1A1 1101/4885L3MBTL1 644/4885
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT S100B 962/4885ALDH1A1 748/4885L3MBTL1 4246/4885
US-20120328530-A1 TOLUIDINE BLUE DERIVATIVES AS PHOTOSENSITISING COMPOUNDS TYR, TST, TH S100B 1790/4885ALDH1A1 876/4885L3MBTL1 905/4885

“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.