SCHEMBL3073287

SCHEMBL3073287

O=C(C=Cc1cccnc1)NCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
NAMPT P43490 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.51
UBE2N P61088 1/20 0.49
ATM Q13315 1/20 0.49
OGA O60502 1/20 0.49
HEXA P06865 1/20 0.49
HEXB P07686 1/20 0.49
HDAC3 O15379 5/20 0.48
NCOR2 Q9Y618 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL3073285 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ENAMPTL3MBTL1MAPT
SCHEMBL3076960 0.93 ALDH1A1 (0.56) ALDH1A1KDM4ENAMPTL3MBTL1UBE2N
SCHEMBL3076956 0.93 ALDH1A1 (0.56) ALDH1A1KDM4ENAMPTL3MBTL1UBE2N
SCHEMBL3085029 0.92 ALDH1A1 (0.58) ALDH1A1KDM4ENAMPTL3MBTL1HDAC3
SCHEMBL3085026 0.92 ALDH1A1 (0.58) ALDH1A1KDM4ENAMPTL3MBTL1HDAC3
SCHEMBL3074941 0.83 NAMPT (0.60) NAMPTHDAC3NCOR2HDAC1HDAC2
SCHEMBL3074939 0.83 NAMPT (0.60) NAMPTHDAC3NCOR2HDAC1HDAC2
SCHEMBL3073653 0.75 HDAC3 (0.55) ALDH1A1NAMPTHDAC3NCOR2HDAC1
SCHEMBL3073656 0.75 HDAC3 (0.55) ALDH1A1NAMPTHDAC3NCOR2HDAC1
SCHEMBL3076898 0.75 DRD2 (0.56) NAMPTHDAC3NCOR2HDAC1HDAC2

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 10 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
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 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 (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 3322/4885NAMPT 2/4885

“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.