SCHEMBL4442904

SCHEMBL4442904

Cc1ncc2c(c1O)C(N)OC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
P2RX3 P56373 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13107698 0.81 KDM4E (0.42) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL26654935 0.81 KDM4E (0.42) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL13995529 0.78 KDM4E (0.39) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL13998247 0.78 KDM4E (0.39) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL23027113 0.74 KDM4E (0.37) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL26655281 0.74 KDM4E (0.37) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL23003285 0.73 KDM4E (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL23003281 0.73 KDM4E (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL26655637 0.69 NFE2L2 (0.34) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL21215169 0.68 KDM4E (0.35) KDM4EMEN1CYP1A2CYP2D6CYP2C19

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018052-A1 Treatment of Diabetes and Related Pathologies MEDICURE, INC. (CA) 2009-01-15 US disclosed
US-20080139511-A1 Combination Therapies Employing Ace Inhibitors and Uses Thereof for the Treatment of Diabetic Disorders MEDICURE INTERNATIONAL INC. (BB) 2008-06-12 US disclosed
EP-1897547-A1 Use of pyridoxal phosphate derivatives for the treatment of diabetes and related complications Medicure Inc. (CA) 2008-03-12 EP disclosed
EP-1872797-A2 Treatment of cardiovascular and related pathologies Medicure International Inc. (BB) 2008-01-02 EP disclosed
EP-1832291-A2 use of pyridoxal phosphate for the treatment of diabetes and related complications Medicure Inc. (CA) 2007-09-12 EP disclosed
US-7230009-B2 Pyridoxal analogues and methods of treatment MEDICURE, INC. (CA) 2007-06-12 US disclosed
US-20070060549-A1 COMBINATION THERAPIES EMPLOYING ACE INHIBITORS AND USES THEREOF FOR THE TREATMENT OF DIABETIC DISORDERS MEDICURE INTERNATIONAL INC. (CA) 2007-03-15 US disclosed
US-7148233-B2 Treatment of cardiovascular and related pathologies MERRILL LYNCH CAPITAL CANADA INC. (CA) 2006-12-12 US disclosed
US-7144892-B2 Administering mixtures of heterocyclic imines, calcium channel blockers, adrenergic blocking agents, anticoagulants, diuretics and angiotensin converting enzyme inhibitors, for prophylaxis of heart diseases such as arrhythmias or necrosis MERRILL LYNCH CAPITAL CANADA INC. (CA) 2006-12-05 US disclosed
US-7132430-B2 Treatment of cardiovascular and related pathologies MEDICURE INTERNATIONAL INC. (BB) 2006-11-07 US disclosed
US-20040033990-A1 Treatment of cardiovascular and related pathologies MEDICURE INTERNATIONAL INC. 2004-02-19 US disclosed
US-20040033993-A1 Treatment of cardiovascular and related pathologies MEDICURE INTERNATIONAL INC. 2004-02-19 US disclosed
US-6677356-B1 CONCURRENTLY ADMINISTERING PYRIDOXAL-5'-PHOSPHATE, PYRIDOXAMINE, PYRIDOXAL, OR A 3-ACYLATED PYRIDOXAL ANALOGUE WITH ANGIOTENSIN CONVERTING ENZYME INHIBITOR,CALCIUM CHANNEL BLOCKER, ADRENERGIC BLOCKING AGENT, VASODILATOR OR DIURETIC MEDICURE INTERNATIONAL INC. (KY) 2004-01-13 US disclosed
US-20030195236-A1 Pyridoxal analogues and methods of treatment MEDICURE INC. (CA) 2003-10-16 US disclosed
US-20030008847-A1 Treatment of diabetes and related pathologies MEDICURE, INC. (CA) 2003-01-09 US disclosed
US-6489345-B1 TREATING DIABETES MELLITUS IN A MAMMAL COMPRISING ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A 3-ACYLATED PYRICOXAL ANALOGUE OR A PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF MEDICURE, INC. (CA) 2002-12-03 US disclosed
EP-1210117-A2 COMPOSITONS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONTAINING PYRIDOXAL COMPOUNDS AND CARDIOVASCULAR COMPOUNDS Medicure International Inc. (BB) 2002-06-05 EP disclosed
US-6339085-B1 FOR THERAPY OF HYPERTROPHY, HYPERTENSION, CONGESTIVE HEART FAILURE, MYOCARDIAL ISCHEMIA, ARRHYTHMIA, HEART FAILURE SUBSEQUENT TO MYOCARDIAL INFARCTION, MYOCARDIAL INFARCTION, ISCHEMIA REPERFUSION INJURY, BLOOD COAGULATION THE UNIVERSITY OF MANITOBA (CA) 2002-01-15 US disclosed
US-20010031770-A1 Pyridoxal analogues and methods of treatment MEDICURE INC. (CA) 2001-10-18 US disclosed
WO-2001013900-A2 COMPOSITIONS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONTAINING PYRIDOXAL COMPOUNDS AND CARDIOVASCULAR COMPOUNDS MEDICURE INTERNATIONAL INC. (BB) 2001-03-01 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 (8 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-20030008847-A1 Treatment of diabetes and related pathologies PDXK, PNPO, IAPP KDM4E 630/4885MEN1 2709/4885CYP1A2 2833/4885
US-20070060549-A1 COMBINATION THERAPIES EMPLOYING ACE INHIBITORS AND USES THEREOF FOR THE TREATMENT OF DIABETIC DISORDERS ACE, ACE2, REN KDM4E 2342/4885MEN1 2986/4885CYP1A2 478/4885
US-20090018052-A1 Treatment of Diabetes and Related Pathologies PDXK, PNPO, IAPP KDM4E 547/4885MEN1 2444/4885CYP1A2 2925/4885
US-20040033990-A1 Treatment of cardiovascular and related pathologies PNPO, PLPBP, PDXK KDM4E 1450/4885MEN1 2157/4885CYP1A2 817/4885
US-20010031770-A1 Pyridoxal analogues and methods of treatment PNPO, PDXK, PLPBP KDM4E 3235/4885MEN1 1325/4885CYP1A2 2491/4885
US-20040033993-A1 Treatment of cardiovascular and related pathologies PLPBP, PDXK, PNPO KDM4E 2180/4885MEN1 4247/4885CYP1A2 1427/4885
US-20080139511-A1 Combination Therapies Employing Ace Inhibitors and Uses Thereof for the Treatment of Diabetic Disorders ACE, ACE2, REN KDM4E 2342/4885MEN1 2986/4885CYP1A2 478/4885
US-20030195236-A1 Pyridoxal analogues and methods of treatment PNPO, PDXK, PLPBP KDM4E 3385/4885MEN1 1415/4885CYP1A2 2408/4885

“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.