SCHEMBL3864549

SCHEMBL3864549

O=C(NCCCO[N+](=O)[O-])c1cccnc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.85
MEN1 O00255 5/20 0.85
CYP2C9 P11712 2/20 0.85
CYP2C19 P33261 2/20 0.85
ALOX15 P16050 1/20 0.85
HSD17B10 Q99714 1/20 0.85
MAPT P10636 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
EPHX2 P34913 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
THRB P10828 1/20 0.54
KEAP1 Q14145 1/20 0.53

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
SCHEMBL8260990 0.96 KMT2A (0.83) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL29512234 0.92 KMT2A (1.00) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL5051667 0.92 KMT2A (1.00) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL34547 0.92 KMT2A (1.00) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL10766084 0.91 KMT2A (0.97) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL9559453 0.89 KMT2A (0.93) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL12103276 0.86 KMT2A (0.80) KMT2AMEN1CYP2C9CYP2C19ALOX15
SCHEMBL8260981 0.86 KMT2A (0.64) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nicorandil SCHEMBL2319411 0.85 KMT2A (0.86) KMT2AMEN1CYP2C9CYP2C19ALOX15
Nitric Acid SCHEMBL10435218 0.85 KMT2A (0.69) KMT2AMEN1CYP2C9CYP2C19ALOX15

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
EP-1861093-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-12-05 EP disclosed
WO-2007123818-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-11-01 WO disclosed
WO-2007016136-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-08 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 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 (3 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 KMT2A 4643/4885MEN1 4231/4885CYP2C9 120/4885
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 KMT2A 3944/4885MEN1 2078/4885CYP2C9 910/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 KMT2A 4143/4885MEN1 2094/4885CYP2C9 256/4885

“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.