SCHEMBL564591

SCHEMBL564591

[CH]c1ccc2cc(N(CC=C)CC=C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.34
DHFR P00374 2/20 0.33
CRHR1 P34998 1/20 0.33
INSR P06213 1/20 0.31
IGF1R P08069 1/20 0.31
PTPN1 P18031 2/20 0.31
TERT O14746 1/20 0.31

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
SCHEMBL564592 1.00 CHKA (0.34) CHKADHFRCRHR1INSRIGF1R
SCHEMBL10935728 0.81 INSR (0.46) CHKADHFRINSRIGF1R
SCHEMBL9566328 0.81 CHKA (0.43) CHKACRHR1PTPN1
SCHEMBL564593 0.79 CYP2A6 (0.46) CHKADHFRCRHR1TERT
SCHEMBL28594401 0.79 ALDH1A1 (0.34) CHKADHFRCRHR1INSRIGF1R
SCHEMBL11388779 0.75 CHKA (0.39) CHKADHFRCRHR1
SCHEMBL8910940 0.75 DHFR (0.34) CHKADHFRCRHR1TERT
SCHEMBL5386689 0.74 TERT (0.58) CHKADHFRCRHR1TERT
SCHEMBL851567 0.73 CHKA (0.50) CHKADHFRCRHR1PTPN1
SCHEMBL11375051 0.71 CYP1A2 (0.49) DHFRCRHR1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164158-B1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES YOUSEFI BEHROOZ (DE) 2020-04-01 EP disclosed
US-10421722-B2 Sulfur-containing compounds targeting vesicular acetylcholine transporter WASHINGTON UNIVERSITY (US) 2019-09-24 US disclosed
US-10328163-B2 Compounds binding to neuropathological aggregates Technische Universität München (DE) 2019-06-25 US disclosed
US-20170355675-A1 SULFUR-CONTAINING COMPOUNDS TARGETING VESICULAR ACETYLCHOLINE TRANSPORTER WASHINGTON UNIVERSITY (US) 2017-12-14 US disclosed
US-20170157274-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES YOUSEFI, Behrooz H. (DE) 2017-06-08 US disclosed
EP-3164158-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES Technische Universität München (DE) 2017-05-10 EP disclosed
WO-2016001422-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES Technische Universität München (DE) 2016-01-07 WO disclosed
US-9216974-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-12-22 US disclosed
US-9115099-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-08-25 US disclosed
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2015-06-25 US disclosed
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 US disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 WO disclosed
US-20080233049-A1 Agents And Methods For Early Diagnosis And Monitoring Of Alzheimer's Disease And Other Neurological Disorders Ferguson, Ian Andrew (AU) 2008-09-25 US disclosed
US-20080166299-A1 Prevent accumulation of amyloid deposits TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-07-10 US disclosed
WO-2008073350-A2 ACETYLENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-06-19 WO disclosed
EP-1893245-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS The Trustees of the University of Pennsylvania (US) 2008-03-05 EP disclosed
US-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-05-31 US disclosed
US-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-08 US disclosed
WO-2007002540-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS KUNG HANK F (US) 2007-01-04 WO disclosed
WO-2006070290-A2 AGENTS AND METHODS FOR EARLY DIAGNOSIS AND MONITORING OF ALZHEIMER'S DISEASE AND OTHER NEUROLOGICAL DISORDERS FERGUSON IAN A (AU) 2006-07-06 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 (9 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-20170157274-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES MAPT, APBA1, NEFM CHKA 1552/4885DHFR 4029/4885CRHR1 3293/4885
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 CHKA 3396/4885DHFR 146/4885CRHR1 3145/4885
US-20080166299-A1 Prevent accumulation of amyloid deposits APP, IAPP, TTR CHKA 1642/4885DHFR 3250/4885CRHR1 4533/4885
US-20170355675-A1 SULFUR-CONTAINING COMPOUNDS TARGETING VESICULAR ACETYLCHOLINE TRANSPORTER SLC18A3, SLC18A2, SLC7A11 CHKA 682/4885DHFR 2250/4885CRHR1 4344/4885
US-10328163-B2 Compounds binding to neuropathological aggregates MAPT, APBA1, NEFM CHKA 1552/4885DHFR 4029/4885CRHR1 3293/4885
US-10421722-B2 Sulfur-containing compounds targeting vesicular acetylcholine transporter SLC18A3, SLC18A2, SLC7A11 CHKA 682/4885DHFR 2250/4885CRHR1 4344/4885
US-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents EGFR, LANCL1, FLT1 CHKA 1681/4885DHFR 1383/4885CRHR1 2514/4885
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 CHKA 1248/4885DHFR 2809/4885CRHR1 3771/4885
US-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques APP, BACE1, APBA1 CHKA 1734/4885DHFR 2426/4885CRHR1 1521/4885

“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.