SCHEMBL2081561

SCHEMBL2081561

CCCCCc1ccccc1C(N)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
KMT2A Q03164 2/20 0.41
TLR8 Q9NR97 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL7889302 0.98 LIPG (0.54) LIPGALOX5PTGS2BIDMCL1
SCHEMBL7899209 0.98 LIPG (0.54) LIPGALOX5PTGS2BIDMCL1
Iodide SCHEMBL8515618 0.97 LIPG (0.53) LIPGALOX5PTGS2BIDMCL1
SCHEMBL4768903 0.95 LIPG (0.44) LIPGKMT2ATLR8MEN1NR1I2
SCHEMBL7896315 0.87 KMT2A (0.42) LIPGKMT2ALMNACYP3A4MAPT
SCHEMBL16634789 0.85 ALOX5 (0.54) LIPGALOX5PTGS2BIDMCL1
SCHEMBL5815657 0.84 LIPG (0.53) LIPGALOX5PTGS2BIDMCL1
SCHEMBL2453233 0.84 LIPG (0.53) LIPGALOX5PTGS2BIDMCL1
SCHEMBL10384517 0.82 LIPG (0.51) LIPGALOX5PTGS2BIDMCL1
SCHEMBL9456052 0.82 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801861-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2017-10-31 US disclosed
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2016-08-25 US disclosed
US-9353072-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2016-05-31 US disclosed
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION 2014-05-01 US disclosed
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
WO-2006026033-A2 NOVEL CHALCOGENOXANTHYLIUM DYES FOR PURGING BLOOD PATHOGENS AND FOR PHOTODYNAMIC THERAPY THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK STOR (US) 2006-03-09 WO disclosed
US-20060040908-A1 Novel chalcogenoxanthylium dyes for purging blood pathogens and for photodynamic therapy NIH-DEITR 2006-02-23 US disclosed
EP-0441718-A1 Herbicidally active triazolopyridine compounds RHONE-POULENC AGROCHIMIE (FR) 1991-08-14 EP disclosed
CN-1053792-A Herbicidal compound with triazolopyridine group RHONE POULENO AGROCHIMIE (FR) 1991-08-14 CN disclosed
US-4055665-A Treating arrythmia with phenylthioaralkylamines MERCK & CO., INC. (US) 1977-10-25 US disclosed
US-4018830-A Phenylthioaralkylamines MERCK & CO., INC. (US) 1977-04-19 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 (4 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 LIPG 24/4885ALOX5 1027/4885PTGS2 210/4885
US-20060040908-A1 Novel chalcogenoxanthylium dyes for purging blood pathogens and for photodynamic therapy ABCB1, ABCC1, GSTP1 LIPG 24/4885ALOX5 1027/4885PTGS2 210/4885
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 LIPG 2909/4885ALOX5 1925/4885PTGS2 2099/4885
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 LIPG 2909/4885ALOX5 1925/4885PTGS2 2099/4885

“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.