SCHEMBL564300

SCHEMBL564300

N=C(NO)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
MEN1 O00255 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
IDO1 P14902 2/20 0.49
CHRM2 P08172 1/20 0.49
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL27847649 0.81 PTPRF (0.54) CA2MEN1MAOAMAOBKMT2A
SCHEMBL4587574 0.79 CA2 (0.55) CA2MEN1MAOAMAOBKMT2A
SCHEMBL1262320 0.78 CHRM2 (0.58) CA2MEN1MAOAMAOBKMT2A
SCHEMBL27968659 0.77 L3MBTL1 (0.57) CA2MEN1MAOAMAOBKMT2A
SCHEMBL31011681 0.77 MEN1 (0.68) CA2MEN1MAOAMAOBKMT2A
SCHEMBL1521016 0.77 PTPRF (0.57) CA2MEN1MAOAMAOBKMT2A
Hydrochloric Acid SCHEMBL660743 0.77 CHRM2 (0.56) CA2MEN1KMT2AHDAC3HDAC1
Sulfuric Acid SCHEMBL10890614 0.76 CA2 (0.56) CA2MEN1MAOAMAOBKMT2A
SCHEMBL4833805 0.76 IDO1 (0.51) MEN1KMT2AIDO1TSHRLOXL2
SCHEMBL1804701 0.76 NPC1 (0.58) CA2MEN1MAOAMAOBKMT2A

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 86 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
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 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-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
US-8067414-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX S.A. (FR) 2011-11-29 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-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2010-09-23 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
WO-2006055542-A2 DIURETIC COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUPS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-05-26 WO disclosed
WO-2006052899-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISORDERS NITROMED, INC. (US) 2006-05-18 WO disclosed
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use NITROMED, INC. (US) 2006-01-12 US disclosed
EP-1603933-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-12-14 EP disclosed
WO-2005107384-A2 METHODS FOR TREATING BLOOD DISORDERS WITH NITRIC OXIDE DONOR COMPOUNDS NITROMED, INC. (US) 2005-11-17 WO disclosed
WO-2005070006-A2 NITROSATED AND/OR NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-08-04 WO disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 WO disclosed
WO-2005023183-A2 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2005-03-17 US disclosed
WO-2004098538-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-11-18 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 (7 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-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, NOS1 CA2 600/4885MEN1 1992/4885MAOA 335/4885
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use TBXA2R, TXNRD3, NOS3 CA2 2730/4885MEN1 4145/4885MAOA 1248/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 CA2 771/4885MEN1 1819/4885MAOA 170/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 CA2 238/4885MEN1 2898/4885MAOA 297/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 CA2 489/4885MEN1 765/4885MAOA 1987/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 CA2 771/4885MEN1 1819/4885MAOA 170/4885
US-20090306027-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF THE GENETIC VARIATION OF G-PROTEIN BETA 3 SUBUNIT POLYMORPHISM ADRB3, GNAI3, GNB1 CA2 942/4885MEN1 4557/4885MAOA 3251/4885

“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.