SCHEMBL2593085

SCHEMBL2593085

Cc1ncsc1C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MLKL Q8NB16 1/20 0.36
ADORA2A P29274 1/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 3/20 0.35
CREBBP Q92793 2/20 0.35

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
SCHEMBL8633179 0.84 CYP3A4 (0.40) SLC6A3KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL9025789 0.84 SLC6A3 (0.37) SLC6A3KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL9025658 0.83 IDO1 (0.38) SLC6A3KDM4EPKMIDO1TDO2
SCHEMBL8634063 0.83 FFAR2 (0.38) KDM4EPKMALDH1A1LMNAHPGD
SCHEMBL9026742 0.83 ATM (0.38) SLC6A3KDM4EPKMIDO1TDO2
SCHEMBL8683323 0.82 KDM4E (0.43) SLC6A3KDM4EPKMALDH1A1LMNA
SCHEMBL8635755 0.82 SMN1; SMN2 (0.51) SLC6A3KDM4ESMN1; SMN2LMNABRD4
SCHEMBL8632333 0.82 ADRB1 (0.41) SLC6A3KDM4ELMNABRD4CREBBP
SCHEMBL8630297 0.82 PFKFB3 (0.38) SLC6A3KDM4EPKMALDH1A1
Hydrochloric Acid SCHEMBL9026983 0.82 SLC6A3 (0.36) SLC6A3KDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US claimed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP claimed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
EP-2566856-B1 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS UNIV ILLINOIS (US) 2017-02-01 EP disclosed
US-8957086-B2 Compounds and methods of treating brain disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-02-17 US disclosed
US-8957086-B2 Compounds and methods of treating brain disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-02-17 US disclosed
US-8957086-B2 Compounds and methods of treating brain disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-02-17 US disclosed
WO-2014013338-A2 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SGC PHARMA, INC. (CA) 2014-01-23 WO disclosed
US-20130131099-A1 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS THATCHER GREGORY R J (US) 2013-05-23 US disclosed
US-20130131099-A1 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS THATCHER GREGORY R J (US) 2013-05-23 US disclosed
US-20130131099-A1 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS THATCHER GREGORY R J (US) 2013-05-23 US disclosed
EP-2566856-A2 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS The Board of Trustees of the University of Illinois (US) 2013-03-13 EP disclosed
WO-2011140198-A2 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-10 WO disclosed
WO-2011140198-A2 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-10 WO disclosed
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 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 (1 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-20130131099-A1 COMPOUNDS AND METHODS OF TREATING BRAIN DISORDERS NLN, PYGB, OTC SLC6A3 59/4885KDM4E 3944/4885PKM 777/4885

“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.