SCHEMBL810259

SCHEMBL810259

CC(C)(C)OC(=O)NCCCCCCCCCCCCNC(=NC#N)Nc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
CYP17A1 P05093 2/20 0.46
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
LATS1 O95835 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6949199 1.00 IKBKB (0.46) IKBKBCYP17A1CYP3A4TDP1CSNK2A2
SCHEMBL2672274 0.83 NAMPT (0.55) CYP3A4KEAP1NFE2L2NR1H4NPSR1
SCHEMBL20095479 0.81 IKBKB (0.50) IKBKBCYP3A4KEAP1NFE2L2MAPT
SCHEMBL7098728 0.81 CYP1A2 (0.53) IKBKBKEAP1NFE2L2LATS1KDM4E
SCHEMBL20095475 0.81 CYP1A2 (0.53) IKBKBKEAP1NFE2L2LATS1KDM4E
SCHEMBL31203373 0.79 CA1 (0.61) CYP17A1CYP3A4TDP1CA1CA2
SCHEMBL6949196 0.78 CYP3A4 (0.44) CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1
SCHEMBL7262254 0.78 CYP3A4 (0.44) CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1
SCHEMBL504843 0.78 CYP3A4 (0.44) CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1
SCHEMBL504842 0.78 CYP3A4 (0.44) CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211912-B2 Compositions and methods for effecting NAD+ levels using a nicotinamide phosphoribosyl tranferase inhibitor GEMIN X PHARMACEUTICALS CANADA (CA) 2012-07-03 US claimed
US-8173677-B2 Compositions and methods for effecting NAD+ levels using a nicotinamide phosphoribosyl transferase inhibitor GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2012-05-08 US claimed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 EP claimed
EP-2197443-A2 COMPOSITIONS AND METHODS FOR EFFECTING NAD+ LEVELS USING A NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE INHIBITOR Gemin X Pharmaceuticals Canada Inc. (CA) 2010-06-23 EP claimed
US-20090215823-A1 COMPOSITIONS AND METHODS FOR EFFECTING NAD+ LEVELS USING A NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE INHIBITOR GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-08-27 US claimed
US-20090162454-A1 Compositions and Methods for Effecting NAD+ Levels Using A Nicotinamide Phosphoribosyl Tranferase Inhibitor GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-06-25 US claimed
WO-2009072004-A2 COMPOSITIONS AND METHODS FOR EFFECTING NAD+ LEVELS USING A NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE INHIBITOR GEMIN X PHARMACEUTICALS CANADA, INC. (US) 2009-06-11 WO claimed
EP-1411984-B1 COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES WHICH CONTAINS CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG LEO PHARMA AS (DK) 2008-05-07 EP claimed
EP-0984936-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-03 EP claimed
EP-2894149-B1 Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2017-08-02 EP disclosed
EP-1339686-B1 CYANOGUANIDINE PRODRUGS LEO PHARMA AS (DK) 2015-09-16 EP disclosed
EP-2894149-A1 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2015-07-15 EP disclosed
US-8211912-B2 Compositions and methods for effecting NAD+ levels using a nicotinamide phosphoribosyl tranferase inhibitor GEMIN X PHARMACEUTICALS CANADA (CA) 2012-07-03 US disclosed
US-8173677-B2 Compositions and methods for effecting NAD+ levels using a nicotinamide phosphoribosyl transferase inhibitor GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2012-05-08 US disclosed
US-20090215823-A1 COMPOSITIONS AND METHODS FOR EFFECTING NAD+ LEVELS USING A NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE INHIBITOR GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-08-27 US disclosed
US-20090162454-A1 Compositions and Methods for Effecting NAD+ Levels Using A Nicotinamide Phosphoribosyl Tranferase Inhibitor GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-06-25 US disclosed
WO-2009072004-A2 COMPOSITIONS AND METHODS FOR EFFECTING NAD+ LEVELS USING A NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE INHIBITOR GEMIN X PHARMACEUTICALS CANADA, INC. (US) 2009-06-11 WO disclosed
EP-1411984-B1 COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES WHICH CONTAINS CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG LEO PHARMA AS (DK) 2008-05-07 EP disclosed
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 WO disclosed
EP-0984936-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-03 EP 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 (2 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-20090215823-A1 COMPOSITIONS AND METHODS FOR EFFECTING NAD+ LEVELS USING A NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE INHIBITOR NAMPT, NQO1, NNT IKBKB 1182/4885CYP17A1 3789/4885CYP3A4 3092/4885
US-20090162454-A1 Compositions and Methods for Effecting NAD+ Levels Using A Nicotinamide Phosphoribosyl Tranferase Inhibitor NAMPT, NAPRT, NNT IKBKB 2111/4885CYP17A1 3614/4885CYP3A4 2651/4885

“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.