SCHEMBL2185353

SCHEMBL2185353

C/C(=N\O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
POLB P06746 3/20 0.57
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CA9 Q16790 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.46
TRPA1 O75762 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CASP3 P42574 1/20 0.42
GFER P55789 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL265248 1.00 LMNA (0.57) LMNAPOLBKMT2AMEN1CA9
Water SCHEMBL11590419 0.98 LMNA (0.55) LMNAPOLBKMT2AMEN1CA9
Acetic Acid SCHEMBL8202609 0.91 LMNA (0.53) LMNAPOLBKMT2AMEN1CA9
SCHEMBL16255397 0.88 FURIN (0.50) LMNAPOLBKMT2AMEN1CA9
SCHEMBL14298196 0.87 CA9 (0.52) LMNAPOLBKMT2AMEN1CA9
SCHEMBL12360950 0.87 CA9 (0.52) LMNAPOLBKMT2AMEN1CA9
Chlorobenzene SCHEMBL28114087 0.84 TSHR (0.48) LMNAPOLBKMT2AMEN1CA9
SCHEMBL13645704 0.79 CA9 (0.47) LMNAPOLBKMT2ACA9CYP1A2
SCHEMBL6734907 0.78 LMNA (0.61) LMNAPOLBKMT2AMEN1CA9
SCHEMBL11461631 0.78 LMNA (0.55) LMNAPOLBKMT2AMEN1CA9

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 23 patents — showing the first 20. 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
EP-2342175-B1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NITROGENIX INC (VG) 2015-05-27 EP 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
WO-2010034118-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-04-01 WO disclosed
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 US disclosed
US-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use NITROMED, INC. (US) 2009-05-21 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-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 US disclosed
US-20080275093-A1 Diuretic Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-06 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 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-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 LMNA 812/4885POLB 2802/4885KMT2A 3491/4885
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 LMNA 1935/4885POLB 2738/4885KMT2A 3944/4885
US-20090131342-A1 Nitrosated and/or nitrosylated compounds, compositions and methods of use LTC4S, LTB4R2, LTB4R LMNA 3477/4885POLB 1382/4885KMT2A 4569/4885
US-20090053328-A1 Nitric Oxide Enhancing Glutamic Acid Compounds, Compositions and Methods of Use GLS, NOS1, NOS2 LMNA 2371/4885POLB 2909/4885KMT2A 3393/4885
US-20080275093-A1 Diuretic Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use NOS3, NOS1, NOS2 LMNA 1992/4885POLB 3979/4885KMT2A 4611/4885
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use TBXA2R, TXNRD3, NOS3 LMNA 3927/4885POLB 4760/4885KMT2A 3639/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 LMNA 2524/4885POLB 3068/4885KMT2A 3937/4885
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use REN, ECE1, EDNRA LMNA 185/4885POLB 3647/4885KMT2A 4254/4885
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 LMNA 2278/4885POLB 3153/4885KMT2A 3995/4885
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use PTGIS, F3, PTGIR LMNA 3795/4885POLB 3831/4885KMT2A 4266/4885
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use AGTR2, AGTR1, REN LMNA 922/4885POLB 2228/4885KMT2A 3084/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 LMNA 2524/4885POLB 3068/4885KMT2A 3937/4885
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 LMNA 1682/4885POLB 3608/4885KMT2A 3375/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 LMNA 2015/4885POLB 3471/4885KMT2A 3342/4885

“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.