SCHEMBL2061371

SCHEMBL2061371

COc1ccc(C(=S)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
NPC1 O15118 8/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
ALDH1A1 P00352 6/20 0.64
HPGD P15428 2/20 0.64
MAPT P10636 9/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GAA P10253 3/20 0.59
ALOX5 P09917 1/20 0.59
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
HTT P42858 2/20 0.54
HSP90AA1 P07900 1/20 0.54
PKM P14618 1/20 0.54
PAX8 Q06710 1/20 0.54

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
SCHEMBL2633338 1.00 MEN1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10974048 0.88 ALDH1A1 (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8392815 0.87 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10624822 0.84 NPC1 (0.86) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2061754 0.84 ALOX5 (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2633343 0.84 ALOX5 (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1984342 0.84 KMT2A (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10311765 0.84 NPC1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9423776 0.83 ALOX5 (0.75) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16587382 0.83 MAPT (0.75) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10137210-B2 Thioflavin derivatives for use in antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition The University of Pittsburgh—Of the Commonwealth System of Higher Education (US) 2018-11-27 US disclosed
US-20180028694-A1 THIOFLAVIN DERIVATIVES FOR USE IN 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) 2018-02-01 US disclosed
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-9808541-B2 Thioflavin derivatives for use in antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition University of Pittsburgh—Of the Commonwealth System of Higher Eduation (US) 2017-11-07 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
US-20150165073-A1 THIOFLAVIN DERIVATIVES FOR USE IN 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) 2015-06-18 US disclosed
EP-2264018-B1 Thioflavin derivatives for use in the diagnosis of Alzheimer's disease UNIV PITTSBURGH (US) 2015-02-11 EP disclosed
US-8911707-B2 Thioflavin derivatives for use in 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) 2014-12-16 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-20130236394-A1 THIOFLAVIN DERIVATIVES FOR USE IN 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 2013-09-12 US 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
WO-2004083195-A1 BENZOTHIAZOLE DERIVATIVE COMPOUNDS, COMPOSITIONS AND USES UNIVERSITY OF PITTSBURGH (US) 2004-09-30 WO disclosed
US-20030236391-A1 Imaging amyloid deposits in living patients, with an amyloid binding agents having radiolabeled iodine; radiotherapy UNIVERSITY OF PITTSBURGH 2003-12-25 US 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
US-4727084-A ANALGESICS ROUSSEL UCLAF (FR) 1988-02-23 US disclosed
US-4659729-A Novel 4H-1,2,4-triazole derivatives ROUSSEL UCLAF (FR) 1987-04-21 US disclosed
US-4512997-A 4,5-Bis(aryl)-4H-1,2,4-triazole derivatives and analgesic use ROUSSEL UCLAF (FR) 1985-04-23 US disclosed
US-4500623-A Photoconductive compositions comprising an organic photoconductor and a thioamide compound and electrophotographic light-sensitive materials using the compositions FUJI PHOTO FILM CO., LTD. (JP) 1985-02-19 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 (8 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-20130236394-A1 THIOFLAVIN DERIVATIVES FOR USE IN ANTEMORTEM DIAGNOSIS OF ALZHEIMER`S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT MEN1 2959/4885KMT2A 3748/4885NPC1 280/4885
US-20180028694-A1 THIOFLAVIN DERIVATIVES FOR USE IN ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT MEN1 2922/4885KMT2A 3827/4885NPC1 320/4885
US-20150165073-A1 THIOFLAVIN DERIVATIVES FOR USE IN ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT MEN1 2922/4885KMT2A 3827/4885NPC1 320/4885
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 MEN1 2819/4885KMT2A 3728/4885NPC1 273/4885
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 MEN1 2994/4885KMT2A 3750/4885NPC1 279/4885
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 MEN1 2842/4885KMT2A 3801/4885NPC1 300/4885
US-20030236391-A1 Imaging amyloid deposits in living patients, with an amyloid binding agents having radiolabeled iodine; radiotherapy TTR, APP, BACE1 MEN1 524/4885KMT2A 4026/4885NPC1 159/4885
US-10137210-B2 Thioflavin derivatives for use in antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition APP, PSEN2, MAPT MEN1 2922/4885KMT2A 3827/4885NPC1 320/4885

“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.