SCHEMBL564192

SCHEMBL564192

N=C(NO)NCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL8895096 0.86 MEN1 (0.59) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL8897948 0.84 MEN1 (0.57) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL10592089 0.82 CYP2C9 (0.56) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL563548 0.80 LMNA (0.50) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL1040794 0.79 CYP2C9 (0.58) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL1360716 0.79 THRB (0.54) MEN1KMT2ACYP2C19ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9666366 0.78 CYP2C9 (0.56) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL4682902 0.78 MEN1 (0.50) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL4018773 0.78 CYP2C9 (0.66) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL5064965 0.78 MEN1 (0.59) MEN1KMT2ACYP2C9CYP2C19ALDH1A1

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 104 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-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-8067464-B2 Compositions and methods using apocynin compounds and nitric oxide donors NITROMED, INC. (US) 2011-11-29 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-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-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 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-2005023182-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
WO-2005018561-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-03 WO 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 (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-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use TBXA2R, TXNRD3, NOS3 MEN1 4145/4885KMT2A 3639/4885CYP2C9 1457/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 MEN1 1819/4885KMT2A 3937/4885CYP2C9 205/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 MEN1 2898/4885KMT2A 4488/4885CYP2C9 751/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 MEN1 765/4885KMT2A 4596/4885CYP2C9 1072/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 MEN1 1819/4885KMT2A 3937/4885CYP2C9 205/4885

“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.