SCHEMBL3321498

SCHEMBL3321498

O=C1CSC(=S)[N+]1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.41
GSK3A P49840 5/20 0.41
HIF1A Q16665 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CA2 P00918 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HTT P42858 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTRC Q99895 1/20 0.30

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
SCHEMBL3318418 0.79 GSK3B (0.39) GSK3BGSK3AHIF1ALMNAALDH1A1
SCHEMBL3322196 0.69 GSK3A (0.34) GSK3BGSK3ATDP1GAAMAPT
SCHEMBL1520611 0.59 GSK3A (1.00) GSK3BGSK3ALMNAALDH1A1TDP1
SCHEMBL3686301 0.58 LMNA (0.44) HIF1ALMNAALDH1A1HTTTP53
SCHEMBL1017459 0.57 HIF1A (0.46) HIF1AALDH1A1TDP1TP53ALOX15
SCHEMBL13326546 0.57 HIF1A (0.58) HIF1AALDH1A1TDP1TP53ALOX15
SCHEMBL8056836 0.57 HTT (0.42) HIF1ALMNAALDH1A1HTTTP53
Hydrochloric Acid SCHEMBL11775352 0.57 LMNA (0.42) HIF1ALMNAALDH1A1TDP1HTT
SCHEMBL8965651 0.57 HTT (0.42) HIF1ALMNAALDH1A1HTTTP53
Hydrochloric Acid SCHEMBL11771900 0.55 HTT (0.41) HIF1ALMNAALDH1A1HTT

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-20050011411-A1 Colorant compounds XEROX CORPORATION 2005-01-20 US disclosed
US-20050011410-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 GSK3B 3906/4885GSK3A 4044/4885HIF1A 3268/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 GSK3B 3368/4885GSK3A 3724/4885HIF1A 4440/4885
US-20050011410-A1 Colorant compounds CDYL, CDY1; CDY1B, RB1 GSK3B 4051/4885GSK3A 3732/4885HIF1A 3805/4885

“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.