SCHEMBL2080433

SCHEMBL2080433

CN(C)c1ccc2sc3ccc(N(C)C)cc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
IP6K1 Q92551 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
AR P10275 1/20 0.38
ATM Q13315 1/20 0.37
TLR9 Q9NR96 1/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIM1 P11309 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
SCHEMBL2301188 0.91 KDM4E (0.58) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL30612315 0.91 KDM4E (0.58) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL29264869 0.86 PIM1 (0.44) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL10516898 0.84 KDM4E (0.48) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL14021076 0.82 KDM4E (0.60) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL14020292 0.80 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL18506676 0.78 GPR3 (0.54) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL11545567 0.77 KDM4E (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL23954414 0.76 KDM4E (0.49) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL15226937 0.74 MAPT (0.51) KDM4EALDH1A1L3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158674-B2 Chalcogenoxanthylium dyes for purging blood pathogens and for photodynamic therapy THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-04-17 US disclosed
US-20110166366-A1 Novel Chalcogenoxanthylium Dyes for Purging Blood Pathogens and for Photodynamic Therapy DETTY MICHAEL R 2011-07-07 US disclosed
US-7906500-B2 Chalcogenoxanthylium dyes for purging blood pathogens and for photodynamic therapy THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-15 US disclosed
EP-1688466-B1 Ink composition, ink jet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2008-11-26 EP disclosed
US-20060040908-A1 Novel chalcogenoxanthylium dyes for purging blood pathogens and for photodynamic therapy NIH-DEITR 2006-02-23 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 (2 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-20110166366-A1 Novel Chalcogenoxanthylium Dyes for Purging Blood Pathogens and for Photodynamic Therapy ABCB1, ABCC1, GSTP1 KDM4E 3668/4885ALDH1A1 688/4885L3MBTL1 2891/4885
US-20060040908-A1 Novel chalcogenoxanthylium dyes for purging blood pathogens and for photodynamic therapy ABCB1, ABCC1, GSTP1 KDM4E 3668/4885ALDH1A1 688/4885L3MBTL1 2891/4885

“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.