SCHEMBL2397794

SCHEMBL2397794

c1ccc(Cn2ccnc2CCCCCCCCCCCCc2nccn2Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.62
HDAC1 Q13547 1/20 0.55
AGTR1 P30556 1/20 0.53
AGTR2 P50052 1/20 0.53
HSP90AB1 P08238 1/20 0.48
HSP90B1 P14625 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
FDPS P14324 1/20 0.43

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
SCHEMBL27387144 0.93 HSP90AA1 (0.59) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL5291955 0.92 AGTR1 (0.60) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL11013827 0.92 AGTR1 (0.60) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL27389591 0.92 HSP90AA1 (0.61) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
Hydrochloric Acid SCHEMBL28122561 0.91 AGTR1 (0.59) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL11014930 0.91 AGTR1 (0.61) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL9214231 0.89 AGTR1 (0.66) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL10615885 0.88 HSP90AA1 (0.68) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL11449438 0.85 HSP90AA1 (0.65) HSP90AA1HDAC1AGTR1AGTR2HSP90AB1
SCHEMBL5292839 0.85 HSP90AA1 (0.61) HSP90AA1AGTR1AGTR2HSP90AB1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272740-A2 HIGH STABILITY DIIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2018-01-24 EP disclosed
US-9782746-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2017-10-10 US disclosed
US-20160114309-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof THE UNIVERSITY OF TOLEDO (US) 2016-04-28 US disclosed
US-9249261-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2016-02-02 US disclosed
US-8956445-B2 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2015-02-17 US disclosed
US-8734673-B2 Boron selective ionic liquids and polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2014-05-27 US disclosed
US-20140121387-A1 High Stability Diionic Liquid Salts SIGMA-ALDRICH CO. LLC (US) 2014-05-01 US disclosed
EP-2682396-A1 High stability diionic liquid salts Sigma-Aldrich Co. (US) 2014-01-08 EP disclosed
US-20120211696-A1 HIGH STABILITY DIIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-08-23 US disclosed
US-20120215005-A1 High Stability Diionic Liquid Salts SIGMA-ALDRICH CO. LLC (US) 2012-08-23 US disclosed
US-8182581-B2 use of these novel bis-cationic and/or bis-anionic ionic liquids as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-22 US disclosed
US-20120111796-A1 Boron Selective Ionic Liquids and Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof UNIVERSITY OF TOLEDO (US) 2012-05-10 US disclosed
US-8168830-B2 use of these novel ionic liquids having bis-cation or bis-anion separated by bridging group as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-01 US disclosed
US-20110236295-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof UNIVERSITY OF TOLEDO (US) 2011-09-29 US disclosed
WO-2010017564-A1 BORON SELECTIVE IONIC LIQUIDS AND POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
WO-2010017563-A1 POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
US-20080027231-A1 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2008-01-31 US disclosed
US-20060025598-A1 High stability diionic liquid salts ADVANCED SEPARATION TECHNOLOGIES INC. (US) 2006-02-02 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 (5 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-20080027231-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDHD5, DAD1 HSP90AA1 3240/4885HDAC1 2811/4885AGTR1 2264/4885
US-20060025598-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCLK2, HDHD5 HSP90AA1 3292/4885HDAC1 2994/4885AGTR1 2431/4885
US-20120111796-A1 Boron Selective Ionic Liquids and Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof BCCIP, SLC6A12, BOLA2; BOLA2B HSP90AA1 4401/4885HDAC1 4623/4885AGTR1 4206/4885
US-20140121387-A1 High Stability Diionic Liquid Salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCLK2, HDHD5 HSP90AA1 3292/4885HDAC1 2994/4885AGTR1 2431/4885
US-20120215005-A1 High Stability Diionic Liquid Salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCLK2, HDHD5 HSP90AA1 3292/4885HDAC1 2994/4885AGTR1 2431/4885

“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.