SCHEMBL6772828

SCHEMBL6772828

O=C(CCc1ccccn1)NCCCCC1CCN(C(=O)Nc2cccc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
NAMPT P43490 1/20 0.46
KDM4E B2RXH2 8/20 0.46
HSD17B10 Q99714 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RORC P51449 1/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
TSHR P16473 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL3073525 0.85 NAMPT (0.47) KMT2ANAMPTKDM4EHSD17B10ALDH1A1
SCHEMBL4924152 0.77 HDAC3 (0.69) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL13597196 0.75 KDM4E (0.63) KMT2AKDM4EHSD17B10ALDH1A1POLB
SCHEMBL3080057 0.74 NAMPT (0.68) NAMPTHRH4HDAC3HDAC4HDAC1
SCHEMBL3080059 0.74 NAMPT (0.68) NAMPTHRH4HDAC3HDAC4HDAC1
SCHEMBL13599123 0.73 KDM4E (0.57) KMT2AKDM4EHSD17B10ALDH1A1POLB
SCHEMBL83396 0.72 KDM4E (0.54) KMT2AKDM4EHSD17B10ALDH1A1POLB
SCHEMBL27979659 0.70 KDM4E (0.85) KMT2AKDM4EHSD17B10ALDH1A1POLB
SCHEMBL2676306 0.70 KDM4E (0.58) KMT2AKDM4EHSD17B10ALDH1A1POLB
SCHEMBL830230 0.69 FAAH (0.70) KMT2AKDM4EHSD17B10ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US 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-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK KMT2A 1493/4885NAMPT 464/4885KDM4E 1569/4885

“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.