SCHEMBL3322196

SCHEMBL3322196

O=C1CSC(=S)[N+]1(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.34
GSK3B P49841 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL3321498 0.69 GSK3B (0.41) GSK3AGSK3BGAAMAPTTDP1
SCHEMBL8335371 0.65 KDM4E (0.31) GSK3AGSK3BKDM4EGAAMAPT
SCHEMBL7615549 0.60 CA12 (0.32) GSK3AGSK3B
SCHEMBL8830916 0.59
SCHEMBL11001347 0.59 CYP1A2 (0.31)
SCHEMBL9717994 0.58 MEN1 (0.41) GSK3BNPSR1KDM4EMAPTTDP1
SCHEMBL10588430 0.58
SCHEMBL1565967 0.55 CYP1A2 (0.33) MAPT
SCHEMBL3066766 0.54 LMNA (0.32)
SCHEMBL4899672 0.52 LMNA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 US disclosed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US disclosed
US-6998493-B2 Colorant compounds XEROX CORPORATION (US) 2006-02-14 US disclosed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US disclosed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US disclosed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US disclosed
US-6860931-B2 Phase change inks containing colorant compounds XEROX CORPORATION (US) 2005-03-01 US disclosed
US-20050016417-A1 PHASE CHANGE INKS CONTAINING COLORANT COMPOUNDS XEROX CORPORATION 2005-01-27 US disclosed
US-20050011410-A1 Colorant compounds XEROX CORPORATION 2005-01-20 US disclosed
US-20050011411-A1 Colorant compounds XEROX CORPORATION 2005-01-20 US disclosed
EP-1493781-A1 Rhodamine dye derivatives and their use for phase change inks Xerox Corporation (US) 2005-01-05 EP disclosed
US-20040261657-A1 PHASE CHANGE INKS CONTAINING COLORANT COMPOUNDS XEROX CORPORATION 2004-12-30 US disclosed
US-6835238-B1 Hot melts XEROX CORPORATION 2004-12-28 US 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-20050011411-A1 Colorant compounds CCNY, RB1, UQCRB GSK3A 4044/4885GSK3B 3906/4885NPSR1 2425/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 GSK3A 3724/4885GSK3B 3368/4885NPSR1 2989/4885
US-20050011410-A1 Colorant compounds CDYL, CDY1; CDY1B, RB1 GSK3A 3732/4885GSK3B 4051/4885NPSR1 3605/4885

“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.