SCHEMBL2062033

SCHEMBL2062033

O=[N+]([O-])c1ccc(-c2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.66
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
SULT1A1 P50225 4/20 0.63
MAOB P27338 1/20 0.62
MAPT P10636 4/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SNCA P37840 1/20 0.53
RORC P51449 1/20 0.53
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
GLA P06280 2/20 0.50

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
SCHEMBL2628260 0.88 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL1996999 0.88 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL17086888 0.84 APP (0.65) APPMMP2MMP9MMP8MMP13
SCHEMBL2628255 0.84 APP (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL2633250 0.84 KDM4E (0.68) APPMMP2MMP9MMP8MMP13
SCHEMBL5423269 0.83 APP (0.81) APPSULT1A1MAPTTP53THRB
SCHEMBL2464396 0.83 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL21043886 0.83 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL2461783 0.83 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL10311768 0.83 RORC (0.71) APPMMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9134328-B2 Methods of using benzothiazole derivative compounds and compositions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-09-15 US disclosed
US-9134328-B2 Methods of using benzothiazole derivative compounds and compositions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-09-15 US disclosed
US-20140220590-A1 METHODS OF USING BENZOTHIAZOLE DERIVATIVE COMPOUNDS AND COMPOSITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-07 US disclosed
US-20140220590-A1 METHODS OF USING BENZOTHIAZOLE DERIVATIVE COMPOUNDS AND COMPOSITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-07 US disclosed
US-8580229-B2 Amyloid imaging as a surrogate marker for efficacy of anti-amyloid therapies University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-11-12 US disclosed
US-8580229-B2 Amyloid imaging as a surrogate marker for efficacy of anti-amyloid therapies University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-11-12 US disclosed
US-8580229-B2 Amyloid imaging as a surrogate marker for efficacy of anti-amyloid therapies University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-11-12 US disclosed
EP-1771208-B1 USE OF THIOFLAVIN RADIOLABELED DERIVATIVES IN AMYLOID IMAGING FOR ASSESSING ANTI-AMYLOID THERAPIES UNIV PITTSBURGH (US) 2013-06-19 EP disclosed
EP-1771208-B1 USE OF THIOFLAVIN RADIOLABELED DERIVATIVES IN AMYLOID IMAGING FOR ASSESSING ANTI-AMYLOID THERAPIES UNIV PITTSBURGH (US) 2013-06-19 EP disclosed
US-20130045164-A1 AMYLOID IMAGING AS A SURROGATE MARKER FOR EFFICACY OF ANTI-AMYLOID THERAPIES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-02-21 US disclosed
EP-1768709-A1 A METHOD OF DIAGNOSING PRODROMAL FORMS OF DISEASES ASSOCIATED WITH AMYLOID DEPOSITION University of Pittsburgh (US) 2007-04-04 EP disclosed
WO-2007035405-A2 IN-VIVO AND IN-VITRO METHOD FOR DETECTING AMYLOID DEPOSITS HAVING AT LEAST ONE AMYLOIDOGENIC PROTEIN UNIVERSITY OF PITTSBURGH (US) 2007-03-29 WO disclosed
WO-2007035405-A2 IN-VIVO AND IN-VITRO METHOD FOR DETECTING AMYLOID DEPOSITS HAVING AT LEAST ONE AMYLOIDOGENIC PROTEIN UNIVERSITY OF PITTSBURGH (US) 2007-03-29 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
WO-2006014381-A9 USE OF THIOFLAVIN RADIOLABELED DERIVATIVES IN AMYLOID IMAGING GOR ASSESSING ANTI-AMYLOID THERAPIES UNIV PITTSBURGH (US) 2006-04-13 WO disclosed
WO-2006014381-A2 USE OF THIOFLAVIN RADIOLABELED DERIVATIVES IN AMYLOID IMAGING GOR ASSESSING ANTI-AMYLOID THERAPIES UNIVERSITY OF PITTSBURGH (US) 2006-02-09 WO disclosed
WO-2006014382-A1 A METHOD OF DIAGNOSING PRODROMAL FORMS OF DISEASES ASSOCIATED WITH AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2006-02-09 WO disclosed
EP-1611115-A1 BENZOTHIAZOLE DERIVATIVE COMPOUNDS, COMPOSITIONS AND USES University of Pittsburgh (US) 2006-01-04 EP disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
WO-2004083195-A1 BENZOTHIAZOLE DERIVATIVE COMPOUNDS, COMPOSITIONS AND USES UNIVERSITY OF PITTSBURGH (US) 2004-09-30 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 (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-20130045164-A1 AMYLOID IMAGING AS A SURROGATE MARKER FOR EFFICACY OF ANTI-AMYLOID THERAPIES TTR, APP, SAAL1 APP 2/4885MMP2 2277/4885MMP9 3907/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT APP 1/4885MMP2 3126/4885MMP9 4037/4885

“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.