SCHEMBL3076956

SCHEMBL3076956

O=C(/C=C\c1cccnc1)NCCCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC3 O15379 6/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
NAMPT P43490 7/20 0.51
NCOR2 Q9Y618 5/20 0.51
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL3076960 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1HDAC3HDAC1
SCHEMBL3085029 0.99 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1HDAC3HDAC1
SCHEMBL3085026 0.99 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1HDAC3HDAC1
SCHEMBL3073285 0.93 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1HDAC3HDAC1
SCHEMBL3073287 0.93 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1HDAC3HDAC1
SCHEMBL3074941 0.91 NAMPT (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3074939 0.91 NAMPT (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3074302 0.82 HDAC3 (0.57) ALDH1A1HDAC3HDAC1HDAC2HDAC4
SCHEMBL80900 0.82 HDAC3 (0.57) ALDH1A1HDAC3HDAC1HDAC2HDAC4
SCHEMBL3081935 0.82 HDAC3 (0.57) ALDH1A1HDAC3HDAC1HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US claimed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 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 (1 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT ALDH1A1 1385/4885KDM4E 3322/4885L3MBTL1 4790/4885

“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.