SCHEMBL2633338

SCHEMBL2633338

COc1ccc(NC(=S)c2ccc([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
SCHEMBL2061371 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
EP-4168441-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM Dana-Farber Cancer Institute, Inc. (US) 2023-04-26 EP disclosed
WO-2021257650-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-23 WO 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-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-9133143-B2 (3-fluoro-2-hydroxy)propyl-functionalized aryl derivatives or pharmaceutically acceptable salts thereof, method for preparing same, and pharmaceutical composition containing same as active ingredient for the diagnosis or treatment of neurodegenerative brain diseases FUTURECHEM CO., LTD. (KR) 2015-09-15 US disclosed
US-9133143-B2 (3-fluoro-2-hydroxy)propyl-functionalized aryl derivatives or pharmaceutically acceptable salts thereof, method for preparing same, and pharmaceutical composition containing same as active ingredient for the diagnosis or treatment of neurodegenerative brain diseases FUTURECHEM CO., LTD. (KR) 2015-09-15 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
US-20080219931-A1 Amyloid Imaging as a Surrogate Marker for Efficacy of Anti-Amyloid Therapies UNIVERSITY OF PITTSBURGH 2008-09-11 US 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-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
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
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole UNIVERSITY OF PITTSBURGH 2008-01-24 US disclosed
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole UNIVERSITY OF PITTSBURGH 2008-01-24 US disclosed
US-7270800-B2 Imaging amyloid deposits in living patients, with an amyloid binding agents having radiolabeled iodine; radiotherapy UNIVERSITY OF PITTSBURGH (US) 2007-09-18 US disclosed
US-7270800-B2 Imaging amyloid deposits in living patients, with an amyloid binding agents having radiolabeled iodine; radiotherapy UNIVERSITY OF PITTSBURGH (US) 2007-09-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-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 MEN1 2842/4885KMT2A 3801/4885NPC1 300/4885
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-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM SNCA, ADRM1, UBE3C MEN1 4306/4885KMT2A 2586/4885NPC1 1139/4885
US-20080021077-A1 Bioavailability, nontoxic; 2-(3'-Iodo-4'-aminophenyl)-6-methoxybenzothiazole APOL1, APOB, APP MEN1 1843/4885KMT2A 3425/4885NPC1 30/4885
US-20080219931-A1 Amyloid Imaging as a Surrogate Marker for Efficacy of Anti-Amyloid Therapies TTR, APP, SAAL1 MEN1 582/4885KMT2A 4494/4885NPC1 332/4885

“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.