SCHEMBL2118960

SCHEMBL2118960

C=C(c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.58
SCD O00767 1/20 0.58
APP P05067 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 8/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL687502 0.81 MAPT (0.68) MMP13SCDAPPMMP2MMP9
SCHEMBL687503 0.81 MAPT (0.68) MMP13SCDAPPMMP2MMP9
SCHEMBL12545717 0.81 RAB9A (0.55) ALDH1A1ALOX15MAPTKMT2AMEN1
SCHEMBL686788 0.80 THRB (0.52) MMP13SCDAPPMMP2MMP9
SCHEMBL686787 0.80 THRB (0.52) MMP13SCDAPPMMP2MMP9
SCHEMBL2119633 0.79 NPC1 (0.52) APPMMP9MMP8ALDH1A1ALOX15
SCHEMBL23978397 0.77 MAPT (0.64) MMP13SCDAPPMMP2MMP9
SCHEMBL13265793 0.75 SCD (0.76) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL6124085 0.75 SCD (0.49) MMP13SCDAPPMMP2MMP9
SCHEMBL1807571 0.75 RAB9A (0.62) APPALDH1A1ALOX15MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833458-B2 Thioflavin derivatives for use in the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-05 US disclosed
US-20150190400-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-07-09 US disclosed
EP-2264018-B1 Thioflavin derivatives for use in the diagnosis of Alzheimer's disease UNIV PITTSBURGH (US) 2015-02-11 EP disclosed
EP-1334091-B1 THIOFLAVIN DERIVATIVES AND THEIR USE IN DIAGNOSIS AND THERAPY OF ALZHEIMER'S DISEASE UNIV PITTSBURGH (US) 2012-09-19 EP disclosed
US-20120095235-A1 THIOFLAVIN DERIVATES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-04-19 US disclosed
EP-2264018-A2 Thioflavin derivatives for use in the diagnosis of Alzheimer's disease University of Pittsburgh of the Commonwealth System of Higher Education (US) 2010-12-22 EP disclosed
US-20080154042-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMERS DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH 2008-06-26 US disclosed
US-7351401-B2 Thioflavin derivatives for use in the antemortem diagnosis of Alzheimers disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH (US) 2008-04-01 US disclosed
CN-1285582-C Thioflavin derivatives and their use in diagnosis and theraphy of alzheimer's disease UNIV PITTSBURGH (US) 2006-11-22 CN disclosed
US-20050043377-A1 Thioflavin derivatives for use in the antemortem diagnosis of alzheimers disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH 2005-02-24 US disclosed
CN-1535268-A Thioflavin derivatives for antemortem diagnosis of alzheimer's disease and in vivo imaging and prevention of amyloid deposits ƥ�ȱ���ѧ 2004-10-06 CN disclosed
EP-1334091-A2 THIOFLAVIN DERIVATIVES AND THEIR USE IN DIAGNOSIS AND THERAPY OF ALZHEIMER'S DISEASE UNIVERSITY OF PITTSBURGH (US) 2003-08-13 EP disclosed
US-20020133019-A1 Thioflavin derivatives for use in antemortem diagnosis of alzheimer's disease and vivo imaging and prevention of amyloid deposition PITTSBURGH, UNIVERSITY OF 2002-09-19 US disclosed
WO-2002016333-A2 THIOFLAVIN DERIVATIVES AND THEIR USE IN DIAGNOSIS AND THERAPHY OF ALZHEIMER'S DISEASE UNIVERSITY OF PITTSBURGH (US) 2002-02-28 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 (5 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-20120095235-A1 THIOFLAVIN DERIVATES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, MAPT, PSEN2 MMP13 3889/4885SCD 1301/4885APP 1/4885
US-20080154042-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMERS DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT MMP13 4039/4885SCD 1867/4885APP 1/4885
US-20150190400-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT MMP13 4077/4885SCD 1846/4885APP 1/4885
US-20020133019-A1 Thioflavin derivatives for use in antemortem diagnosis of alzheimer's disease and vivo imaging and prevention of amyloid deposition APP, PSEN2, MAPT MMP13 4137/4885SCD 2059/4885APP 1/4885
US-20050043377-A1 Thioflavin derivatives for use in the antemortem diagnosis of alzheimers disease and in vivo imaging and prevention of amyloid deposition APP, PSEN2, MAPT MMP13 4039/4885SCD 1867/4885APP 1/4885

“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.