SCHEMBL4904850

SCHEMBL4904850

CN(C)CCOc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 9/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MKNK2 Q9HBH9 2/20 0.36
EIF4E P06730 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MAPK14 Q16539 4/20 0.35
MAPK11 Q15759 3/20 0.35
BRPF1 P55201 1/20 0.34
HRH1 P35367 1/20 0.33

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
SCHEMBL4904302 0.94 HIF1A (0.38) HIF1AMEN1KMT2AMKNK2EIF4E
SCHEMBL4900430 0.89 KDM4E (0.41) KDM4EHIF1AMEN1KMT2AMAPK14
SCHEMBL4575589 0.88 HRH1 (0.39) KDM4EHIF1AMEN1KMT2ABRPF1
SCHEMBL4935908 0.88 KDM4E (0.42) KDM4EHIF1AMEN1KMT2AMAPK14
SCHEMBL4898152 0.88 KDM4E (0.42) KDM4EHIF1AMEN1KMT2AMAPK14
SCHEMBL4906366 0.87 KDM4E (0.44) KDM4EHIF1AMEN1KMT2AMAPK14
SCHEMBL4898690 0.86 CNR2 (0.40) KDM4E
SCHEMBL4906293 0.85 KDM4E (0.48) KDM4EHIF1AMEN1KMT2AMAPK14
SCHEMBL4909162 0.84 KDM4E (0.43) KDM4EHIF1AMEN1KMT2AMAPK14
SCHEMBL16021049 0.84 GRIN2B (0.41) KDM4EHIF1AMEN1KMT2A

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 KDM4E 1139/4885HIF1A 3129/4885MEN1 4841/4885

“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.