SCHEMBL2186014

SCHEMBL2186014

COc1ccc(CNC(=N)NO)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 2/20 0.51
NPC1 O15118 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 1/20 0.50
ANPEP P15144 1/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL14625827 0.86 ALDH1A1 (0.61) ALDH1A1PKMHPGDNPC1MEN1
SCHEMBL10591739 0.84 ALDH1A1 (0.59) ALDH1A1PKMHPGDNPC1MEN1
SCHEMBL13381593 0.81 ALDH1A1 (0.56) ALDH1A1PKMHPGDNPC1MEN1
SCHEMBL4466772 0.80 ALDH1A1 (0.54) ALDH1A1PKMHPGDNPC1MEN1
Hydrochloric Acid SCHEMBL4471373 0.80 ALDH1A1 (0.54) ALDH1A1PKMHPGDNPC1MEN1
SCHEMBL4093144 0.80 ALDH1A1 (0.62) ALDH1A1PKMHPGDNPC1MEN1
SCHEMBL5793985 0.80 ALDH1A1 (0.62) ALDH1A1PKMHPGDNPC1MEN1
SCHEMBL563548 0.79 LMNA (0.50) ALDH1A1HPGDNPC1MEN1KMT2A
SCHEMBL13563626 0.79 ALDH1A1 (0.53) ALDH1A1PKMHPGDNPC1MEN1
SCHEMBL13563558 0.79 ALDH1A1 (0.53) ALDH1A1PKMHPGDNPC1MEN1

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
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 US disclosed
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE BENOIT & COTE (CA) 2011-08-11 US disclosed
EP-2342175-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE Nitrogenix Inc. (VG) 2011-07-13 EP disclosed
US-7838023-B2 Furoxan compounds, compositions and methods of use NITROMED, INC. (US) 2010-11-23 US disclosed
US-20090306027-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF THE GENETIC VARIATION OF G-PROTEIN BETA 3 SUBUNIT POLYMORPHISM NITOMED, INC. (US) 2009-12-10 US disclosed
US-20090053328-A1 Nitric Oxide Enhancing Glutamic Acid Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2009-02-26 US disclosed
US-20090018091-A1 Nitric Oxide Enhancing Antimicrobial Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2009-01-15 US disclosed
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use NITROMED, INC. (US) 2009-01-08 US disclosed
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use NICOX S.A. (FR) 2008-12-11 US disclosed
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-10-30 US disclosed
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US disclosed
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use NITROMED, INC. (US) 2007-10-11 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 US disclosed
US-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use NITROMED, INC. (US) 2007-01-11 US disclosed
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2006-08-24 US disclosed
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use NITROMED, INC. (US) 2006-01-12 US disclosed
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2005-03-17 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 (15 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-20070010571-A1 Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use REN, ACE, AGTR1 ALDH1A1 312/4885PKM 962/4885HPGD 121/4885
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use REN, EDNRB, ECE1 ALDH1A1 1761/4885PKM 802/4885HPGD 100/4885
US-20090053328-A1 Nitric Oxide Enhancing Glutamic Acid Compounds, Compositions and Methods of Use GLS, NOS1, NOS2 ALDH1A1 1504/4885PKM 1196/4885HPGD 172/4885
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use TBXA2R, TXNRD3, NOS3 ALDH1A1 339/4885PKM 4647/4885HPGD 293/4885
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use REN, NOX5, NOS3 ALDH1A1 468/4885PKM 765/4885HPGD 59/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 ALDH1A1 1372/4885PKM 1280/4885HPGD 145/4885
US-20090018091-A1 Nitric Oxide Enhancing Antimicrobial Compounds, Compositions and Methods of Use NOS1, NOS3, NOS2 ALDH1A1 1797/4885PKM 1569/4885HPGD 282/4885
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use REN, ECE1, EDNRA ALDH1A1 1323/4885PKM 1629/4885HPGD 90/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 ALDH1A1 396/4885PKM 1242/4885HPGD 60/4885
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use PTGIS, F3, PTGIR ALDH1A1 681/4885PKM 2401/4885HPGD 355/4885
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use AGTR2, AGTR1, REN ALDH1A1 2360/4885PKM 953/4885HPGD 259/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 ALDH1A1 1372/4885PKM 1280/4885HPGD 145/4885
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NOS1, NOS3, REN ALDH1A1 389/4885PKM 702/4885HPGD 71/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 ALDH1A1 883/4885PKM 1013/4885HPGD 261/4885
US-20090306027-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF THE GENETIC VARIATION OF G-PROTEIN BETA 3 SUBUNIT POLYMORPHISM ADRB3, GNAI3, GNB1 ALDH1A1 1372/4885PKM 4542/4885HPGD 206/4885

“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.