SCHEMBL2417322

SCHEMBL2417322

O=C(NCCO[N+](=O)[O-])OCCl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 9/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TTPA P49638 1/20 0.32
PTGS2 P35354 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL2802998 0.82 MEN1 (0.41) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL23111867 0.81 MEN1 (0.40) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL2417145 0.79 MEN1 (0.44) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8846809 0.75 MEN1 (0.46) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL12987284 0.73 ACHE (0.44) MEN1KMT2AACHEL3MBTL1
SCHEMBL20921400 0.72 PTGS2 (0.34) PTGS2CA12CA1CA2CA4
SCHEMBL9330344 0.70 MEN1 (0.36) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL22517795 0.69 PTGS2 (0.40) TTPAPTGS2CA12CA1CA2
SCHEMBL3922804 0.69 PTGS2 (0.43) TTPAPTGS2CA12CA1CA2
SCHEMBL8846603 0.69 MEN1 (0.49) MEN1KMT2ACYP2C9ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729115-B2 Valsartan derivatives carrying nitrogen oxide donors for the treatment of vascular and metabolic diseases CARDIOLYNX AG (CH) 2014-05-20 US disclosed
US-8703800-B2 Nitrate and diazeniumdiolate derivatives of pioglitazone CARDIOLYNX AG (CH) 2014-04-22 US disclosed
US-8703800-B2 Nitrate and diazeniumdiolate derivatives of pioglitazone CARDIOLYNX AG (CH) 2014-04-22 US disclosed
US-8426597-B2 Nitrate derivatives of cilostazol for the treatment of vascular and metabolic diseases CARDIOLYNX AG (CH) 2013-04-23 US disclosed
EP-2576545-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE Cardiolynx AG (CH) 2013-04-10 EP disclosed
US-20130072525-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE CARDIOLYNX AG (CH) 2013-03-21 US disclosed
US-20130072525-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE CARDIOLYNX AG (CH) 2013-03-21 US disclosed
US-20130041001-A1 VALSARTAN DERIVATIVES CARRYING NITROGEN OXIDE DONORS FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES CARDIOLYNX AG (CH) 2013-02-14 US disclosed
EP-2377855-B1 A valsartanamide dinitrate derivative for the treatment of vascular and metabolic diseases CARDIOLYNX AG (CH) 2012-07-18 EP disclosed
WO-2011151362-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE CARDIOLYNX AG (CH) 2011-12-08 WO disclosed
WO-2011131613-A1 VALSARTAN DERIVATIVES CARRYING NITROGEN OXIDE DONORS FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES CARDIOLYNX AG (CH) 2011-10-27 WO disclosed
EP-2377855-A1 A valsartanamide dinitrate derivative for the treatment of vascular and metabolic diseases Cardiolynx AG (CH) 2011-10-19 EP disclosed
EP-2367803-A1 NITRATE DERIVATIVES OF CILOSTAZOL FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES Cardiolynx AG (CH) 2011-09-28 EP disclosed
US-20110230520-A1 NITRATE DERIVATIVES OF CILOSTAZOL FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES CARDIOLYNX AG (CH) 2011-09-22 US disclosed
WO-2010063724-A1 NITRATE DERIVATIVES OF CILOSTAZOL FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES CARDIOLYNX AG (CH) 2010-06-10 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-20130041001-A1 VALSARTAN DERIVATIVES CARRYING NITROGEN OXIDE DONORS FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES GLS, REN, NAT1 MEN1 1075/4885KMT2A 3460/4885CYP2C9 277/4885
US-20110230520-A1 NITRATE DERIVATIVES OF CILOSTAZOL FOR THE TREATMENT OF VASCULAR AND METABOLIC DISEASES NOS3, NOS2, NOS1 MEN1 1141/4885KMT2A 3369/4885CYP2C9 1132/4885
US-20130072525-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE PPARD, NOS2, PPARA MEN1 4198/4885KMT2A 4142/4885CYP2C9 320/4885

“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.