SCHEMBL1002453

SCHEMBL1002453

S=c1[nH]c2ccncc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 11/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ACHE P22303 3/20 0.37
CYP2A6 P11509 2/20 0.37

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
SCHEMBL14880785 0.84 PSMB8 (0.53) PSMB8ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL12433112 0.76 PDE3B (0.59) CYP2A6PDE3BPDE3ADAO
2-Mercaptobenzothiazole SCHEMBL408087 0.70 PSMB8 (1.00) PSMB8ALDH1A1KDM4EHPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL29433968 0.70 PSMB8 (1.00) PSMB8ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL23706120 0.69 PSMB8 (0.46) PSMB8ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL30097028 0.69 PSMB8 (0.46) PSMB8ALDH1A1KDM4EHPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL8749352 0.68 PSMB8 (0.95) PSMB8ALDH1A1KDM4EHPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL4268289 0.68 PSMB8 (0.95) PSMB8ALDH1A1KDM4EHPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL29729650 0.68 PSMB8 (0.95) PSMB8ALDH1A1KDM4EHPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL5934103 0.68 PSMB8 (0.95) PSMB8ALDH1A1KDM4EHPGDCYP3A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382425-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2016-07-05 US disclosed
US-20150031579-A1 Aza-Benzazolium Containing Cyanine Dyes MOLECULAR PROBES, INC. 2015-01-29 US disclosed
EP-2268646-B9 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-11-19 EP disclosed
US-8883415-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2014-11-11 US disclosed
EP-2268646-B1 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-10-02 EP disclosed
US-20130178395-A1 Aza-Benzazolium Containing Cyanine Dyes Life Technologies Corporation (US) 2013-07-11 US disclosed
US-8357684-B2 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-22 US disclosed
US-20120295817-A1 Aza-benzazolium Containing Cyanine Dyes Life Technologies Corporation (US) 2012-11-22 US disclosed
US-8252530-B2 Aza-benzazolium containing cyanine dyes Life Technologies Corporation (US) 2012-08-28 US disclosed
US-20110217696-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES Life Technologies Corporation (US) 2011-09-08 US disclosed
US-20110159563-A1 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-06-30 US disclosed
EP-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 EP disclosed
US-7939527-B2 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2011-05-10 US disclosed
US-7871773-B2 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected Life Technologies Corporation (US) 2011-01-18 US disclosed
US-20090258854-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-15 US disclosed
US-20080044811-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2008-02-21 US disclosed
US-7226740-B2 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected INVITROGEN CORPORATION (US) 2007-06-05 US disclosed
US-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected Life Technologies Corporation 2004-07-15 US disclosed
US-6664047-B1 Assymetrical; substituted by a cationic side chain; exhibit bright fluorescence when associated with nucleic acid polymers such as DNA or RNA, or with polypeptides MOLECULAR PROBES, INC. 2003-12-16 US disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 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 (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-20040137475-A1 nucleic acid or a poly(amino acid) samples and dyes in form of staining solution are combined for sufficient time to form dye-analyte complex and are illuminated with an appropriate wavelength whereby nucleic acid or a poly(amino acid) is detected POLL, IK, ADAR PSMB8 3625/4885ALDH1A1 3853/4885KDM4E 1578/4885
US-20110217696-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES AZI2, BRDT, DNMT1 PSMB8 4684/4885ALDH1A1 2967/4885KDM4E 428/4885
US-20090258854-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R2 PSMB8 1539/4885ALDH1A1 859/4885KDM4E 1122/4885
US-20110159563-A1 Thyazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R2 PSMB8 1861/4885ALDH1A1 816/4885KDM4E 722/4885

“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.