SCHEMBL5879547

SCHEMBL5879547

CC(C)(C)OC(=O)N1CCC(CNC(=S)Nc2ccccc2N)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
TGFBR1 P36897 4/20 0.49
BRD4 O60885 2/20 0.49
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
NAMPT P43490 1/20 0.45
KDM1A O60341 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL4508195 0.86 KDM4E (0.57) KDM4EPKMTGFBR1BRD4MAPT
SCHEMBL22716661 0.85 KDM4E (0.61) KDM4EPKMTGFBR1BRD4GPR119
SCHEMBL30703662 0.85 KDM4E (0.61) KDM4EPKMTGFBR1BRD4GPR119
SCHEMBL5897576 0.84 HDAC3 (0.52) BRD4MAPTL3MBTL1KDM1AHPGD
SCHEMBL17796229 0.81 KDM4E (0.72) KDM4EPKMTGFBR1BRD4MAPT
SCHEMBL14447471 0.80 PTPN2 (0.62) KDM4EPKMGPR119NAMPTHDAC3
SCHEMBL8000757 0.79 KDM4E (0.80) KDM4EPKMTGFBR1BRD4GPR119
SCHEMBL17796159 0.78 KDM4E (0.64) KDM4EPKMTGFBR1GPR119KDM1A
SCHEMBL4514614 0.78 KDM4E (0.59) KDM4EPKMTGFBR1MAPTL3MBTL1
SCHEMBL13848219 0.77 TGFBR1 (0.50) KDM4EPKMTGFBR1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
US-20040259864-A1 Substituted pyrimidinone derivatives as ligands of integrin receptors ABBOTT GMBH & CO. KG (DE) 2004-12-23 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-20040259864-A1 Substituted pyrimidinone derivatives as ligands of integrin receptors ITGB3, ITGA5, ITGB5 KDM4E 3060/4885PKM 3799/4885TGFBR1 425/4885

“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.