Sugi Predict

Sugi Predict / Compounds / SCHEMBL80866

SCHEMBL80866

SCHEMBL80866

CS(=O)(=O)N1CCC(CCCCNC(=O)/C=C\c2cccnc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ HDAC3 O15379 4/20 0.52
▸ HDAC1 Q13547 4/20 0.52
▸ HDAC2 Q92769 4/20 0.52
▸ NCOR2 Q9Y618 3/20 0.52
▸ HDAC4 P56524 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ DRD2 P14416 1/20 0.49
▸ DRD3 P35462 1/20 0.49

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
SCHEMBL80867 1.00 NAMPT (0.70) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL82563 0.87 NAMPT (0.78) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL82564 0.87 NAMPT (0.78) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL81983 0.86 NAMPT (0.69) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL81982 0.86 NAMPT (0.69) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL28376292 0.85 NAMPT (0.82) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL3077273 0.84 NAMPT (0.64) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL3077271 0.84 NAMPT (0.64) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL27500164 0.84 NAMPT (0.74) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL5474277 0.83 NAMPT (0.69) NAMPTCYP3A4CYP2C9HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4607319-B2 — — 2011-01-05 — — JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 — — US claimed
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 — — US claimed
WO-2009109610-A1 USE OF NAD INFORMATION INHIBITORS FOR THE TREATMENT OF ISCHEMIA-REPERFUSION INJURY TOPOTARGET SWITZERLAND S.A. (CH) 2009-09-11 — — WO claimed
EP-2073808-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES Topotarget Switzerland SA (CH) 2009-07-01 — — EP claimed
WO-2008025857-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2008-03-06 — — WO claimed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 — — US claimed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 — — US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 — — EP claimed
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives KLINGE PHARMA GMBH 2004-01-15 — — US claimed
EP-0923570-B1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 — — EP claimed
JP-2002512190-A — — 2002-04-23 — — JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 — — EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 — — WO claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 — — US disclosed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 — — US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 — — US disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 — — WO disclosed
EP-0923570-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-06-23 — — EP disclosed
WO-1997048696-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 — — 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 (5 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-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 NAMPT 122/4885CYP3A4 2342/4885CYP2C9 3940/4885
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 NAMPT 350/4885CYP3A4 1520/4885CYP2C9 2017/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 NAMPT 151/4885CYP3A4 1137/4885CYP2C9 1645/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT NAMPT 2/4885CYP3A4 905/4885CYP2C9 810/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 NAMPT 1/4885CYP3A4 1914/4885CYP2C9 2782/4885

“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.