SCHEMBL534246

SCHEMBL534246

FC(F)(F)Oc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.44
XDH P47989 1/20 0.43
GALR1 P47211 1/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
DYRK1A Q13627 2/20 0.43
KCNH2 Q12809 2/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
DHODH Q02127 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPY5R Q15761 1/20 0.42
SLC6A7 Q99884 1/20 0.41
USP7 Q93009 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
GRM5 P41594 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MME P08473 1/20 0.40
SERPINE1 P05121 1/20 0.39

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
SCHEMBL5840598 0.85 SLC13A5 (0.51) SLC13A5XDHGALR1ADORA1ADORA2A
SCHEMBL533475 0.84 DRD1 (0.35) SLC13A5
SCHEMBL5542330 0.83 AURKA (0.38) FFAR4
SCHEMBL361619 0.83 XDH (0.42) SLC13A5XDHGALR1ADORA1ADORA2A
SCHEMBL533272 0.82 KDM4E (0.38) XDHDYRK1AKCNH2SCN10A
SCHEMBL27756935 0.82 NPY5R (0.46) XDHGALR1ADORA1ADORA2ADYRK1A
SCHEMBL533257 0.79 KIF11 (0.47)
SCHEMBL6573034 0.79 KIF11 (0.47)
SCHEMBL534127 0.79 DRD1 (0.59) ADORA1KCNH2
SCHEMBL5379608 0.79 ESR1 (0.55) SLC13A5XDHGALR1DHODHSLC6A7

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
EP-3116851-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING Salk Institute for Biological Studies (US) 2017-01-18 EP claimed
WO-2015138969-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 WO claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed
CN-115279741-A 4-phenyl-N- (phenyl) thiazol-2-amine derivatives and related compounds as Aryl Hydrocarbon Receptor (AHR) agonists for the treatment of, for example, angiogenesis-related disorders or inflammatory disorders 医肯纳肿瘤学公司 2022-11-01 CN disclosed
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-05-20 US disclosed
US-10815203-B2 Analogs of fexaramine and methods of making and using SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-10-27 US disclosed
US-20200123113-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-04-23 US disclosed
US-10450277-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-10-22 US disclosed
US-10301268-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-05-28 US disclosed
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-03-21 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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 (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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 SLC13A5 965/4885XDH 737/4885GALR1 16/4885
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 SLC13A5 2603/4885XDH 170/4885GALR1 242/4885
US-10815203-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 SLC13A5 2603/4885XDH 170/4885GALR1 242/4885
US-10450277-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 SLC13A5 2603/4885XDH 170/4885GALR1 242/4885
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 SLC13A5 2603/4885XDH 170/4885GALR1 242/4885
US-10301268-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 SLC13A5 2603/4885XDH 170/4885GALR1 242/4885
US-20200123113-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 SLC13A5 2603/4885XDH 170/4885GALR1 242/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO SLC13A5 3107/4885XDH 55/4885GALR1 3030/4885

“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.