SCHEMBL563548

SCHEMBL563548

Cc1ccc(CNC(=N)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.46
ANPEP P15144 1/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL10591756 0.82 LMNA (0.49) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL564192 0.80 MEN1 (0.57) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL2186014 0.79 ALDH1A1 (0.61) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL17198946 0.79 LMNA (0.46) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL18624786 0.79 LMNA (0.46) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1360716 0.79 THRB (0.54) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL16216296 0.79 SMN1; SMN2 (0.53) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4100287 0.78 IDO1 (0.52) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL20113982 0.78 SMN1; SMN2 (0.52) LMNASMN1; SMN2KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL30496708 0.77 IDO1 (0.46) LMNASMN1; SMN2KMT2AMEN1NPC1

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 98 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-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
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
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-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 (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 LMNA 2819/4885SMN1; SMN2 2070/4885KMT2A 4509/4885
US-20060009431-A1 Nitrosated and nitrosylated compounds, compositions and methods use TBXA2R, TXNRD3, NOS3 LMNA 3927/4885SMN1; SMN2 2553/4885KMT2A 3639/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 LMNA 2524/4885SMN1; SMN2 2146/4885KMT2A 3937/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 LMNA 2873/4885SMN1; SMN2 1781/4885KMT2A 4488/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 LMNA 615/4885SMN1; SMN2 3461/4885KMT2A 4596/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 LMNA 2524/4885SMN1; SMN2 2146/4885KMT2A 3937/4885
US-20090306027-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF THE GENETIC VARIATION OF G-PROTEIN BETA 3 SUBUNIT POLYMORPHISM ADRB3, GNAI3, GNB1 LMNA 3721/4885SMN1; SMN2 2943/4885KMT2A 3510/4885

“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.