SCHEMBL4017967

SCHEMBL4017967

C=Cc1ccc(CNCCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.47
MC5R P33032 2/20 0.47
ALDH1A1 P00352 1/20 0.42
MC3R P41968 1/20 0.41
CHRM2 P08172 5/20 0.40
MAOA P21397 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
Hydrochloric Acid SCHEMBL7127056 0.98 MC4R (0.46) MC4RMC5RALDH1A1MC3RCHRM2
Hydrochloric Acid SCHEMBL16241677 0.98 MC4R (0.46) MC4RMC5RALDH1A1MC3RCHRM2
SCHEMBL7935225 0.96 MC4R (0.45) MC4RMC5RALDH1A1MC3RCHRM2
Hydrochloric Acid SCHEMBL7123283 0.95 MC4R (0.44) MC4RMC5RALDH1A1MC3RCHRM2
SCHEMBL4851798 0.90 MC4R (0.47) MC4RMC5RMC3RCHRM2MAOA
SCHEMBL4159439 0.88 ALDH1A1 (0.50) ALDH1A1CHRM2MAOAHRH4HRH3
SCHEMBL14275024 0.86 MAOA (0.55) ALDH1A1CHRM2MAOAHRH4HRH3
SCHEMBL13926497 0.86 CHRM2 (0.50) ALDH1A1CHRM2MAOAHRH4HRH3
Hydrochloric Acid SCHEMBL7047762 0.86 MEN1 (0.48) ALDH1A1CHRM2MAOAHRH4HRH3
SCHEMBL11146572 0.83 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103026283-B pigment particles for electrophoretic displays 希毕克斯影像有限公司 2016-08-31 CN claimed
CN-101910345-B Pressure-sensitive adhesive compositions, polarizers and liquid crystal displays comprising the same LG CHEMICAL LTD 2013-03-27 CN claimed
CN-117106315-A Environment-friendly artificial board and preparation method thereof 凡之术新材料(上海)有限公司 2023-11-24 CN disclosed
US-11298649-B2 Systems and methods incorporating ionic liquids for electrochemically mediated capturing of Lewis acid gases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-04-12 US disclosed
US-20210292196-A1 REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-09-23 US disclosed
US-11026419-B2 Silver- and copper-chelating ionic liquids, polymers, and gels, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-08 US disclosed
US-20190327964-A1 SILVER- AND COPPER-CHELATING IONIC LIQUIDS, POLYMERS, AND GELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-10-31 US disclosed
US-20190291043-A1 SYSTEMS AND METHODS INCORPORATING IONIC LIQUIDS FOR ELECTROCHEMICALLY MEDIATED CAPTURING OF LEWIS ACID GASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-09-26 US disclosed
EP-3500530-A1 REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY Massachusetts Institute Of Technology (US) 2019-06-26 EP disclosed
US-20180028962-A1 SYSTEMS AND METHODS INCORPORATING IONIC LIQUIDS FOR ELECTROCHEMICALLY MEDIATED CAPTURING OF LEWIS ACID GASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-01 US disclosed
CN-101910345-B Pressure-sensitive adhesive compositions, polarizers and liquid crystal displays comprising the same LG CHEMICAL LTD 2013-03-27 CN disclosed
WO-2009088398-A1 LUBRICIOUS METAL ORTHODONTIC APPLIANCE TP ORTHODONTICS, INC. (US) 2009-07-16 WO disclosed
US-20080175881-A1 Blood-contacting medical devices for the release of nitric oxide and anti-restenotic agents BOSTON SCIENTIFIC SCIMED, INC. 2008-07-24 US disclosed
US-20070254378-A1 CHELATING MONOMERS AND POLYMERS BIO-RAD LABORATORIES, INC. (US) 2007-11-01 US disclosed
US-20070254378-A1 CHELATING MONOMERS AND POLYMERS BIO-RAD LABORATORIES, INC. (US) 2007-11-01 US disclosed
WO-2007120999-A2 CHELATING MONOMERS AND POLYMERS BIO-RAD LABORATORIES, INC. (US) 2007-10-25 WO disclosed
CN-1771438-A Improved composite microarry slides CUNO INC (US) 2006-05-10 CN disclosed
US-20030054949-A1 Immobilized metalchelate complexes for catalysis and decontamination of pesticides and chemical warfare nerve-agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-03-20 US disclosed
WO-2001089653-A2 IMMOBILIZED METALCHELATE COMPLEXES FOR CATALYSIS AND DECONTAMINATION OF PESTICIDES AND CHEMICAL WARFARE NERVE-AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2001-11-29 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 (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-11026419-B2 Silver- and copper-chelating ionic liquids, polymers, and gels, and uses thereof SOD1, AOC1, SOD3 MC4R 4629/4885MC5R 4725/4885ALDH1A1 1684/4885
US-20190291043-A1 SYSTEMS AND METHODS INCORPORATING IONIC LIQUIDS FOR ELECTROCHEMICALLY MEDIATED CAPTURING OF LEWIS ACID GASES CA13, CA1, CA12 MC4R 2274/4885MC5R 1921/4885ALDH1A1 968/4885
US-20180028962-A1 SYSTEMS AND METHODS INCORPORATING IONIC LIQUIDS FOR ELECTROCHEMICALLY MEDIATED CAPTURING OF LEWIS ACID GASES CA13, CA1, CA12 MC4R 2274/4885MC5R 1921/4885ALDH1A1 968/4885
US-20190327964-A1 SILVER- AND COPPER-CHELATING IONIC LIQUIDS, POLYMERS, AND GELS, AND USES THEREOF SOD1, AOC1, SOD3 MC4R 4629/4885MC5R 4725/4885ALDH1A1 1684/4885
US-11298649-B2 Systems and methods incorporating ionic liquids for electrochemically mediated capturing of Lewis acid gases CA13, CA1, CA12 MC4R 2274/4885MC5R 1921/4885ALDH1A1 968/4885

“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.