SCHEMBL4905923

SCHEMBL4905923

Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCOCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CNR1 P21554 3/20 0.38
NTRK1 P04629 4/20 0.37
CNR2 P34972 6/20 0.37
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PIK3CA P42336 3/20 0.35
GRIN2B Q13224 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
MTOR P42345 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL4896142 0.93 CNR1 (0.37) CNR1NTRK1CNR2PDE10AMEN1
SCHEMBL4906357 0.93 KDM4E (0.41) KDM4ENTRK1CNR2MEN1KMT2A
SCHEMBL4575789 0.89 NTRK1 (0.39) KDM4ECNR1NTRK1CNR2MEN1
SCHEMBL4907817 0.87 CNR2 (0.40) KDM4ECNR1CNR2PIK3CA
SCHEMBL4906999 0.87 KDM4E (0.45) KDM4EMEN1KMT2A
SCHEMBL4591218 0.87 KDM4E (0.45) KDM4EMEN1KMT2A
SCHEMBL4575790 0.87 KDM4E (0.45) KDM4EMEN1KMT2A
SCHEMBL4909302 0.85 KDM4E (0.46) KDM4EMEN1KMT2A
SCHEMBL4895081 0.85 NTRK1 (0.37) KDM4ENTRK1MEN1KMT2AGRIN2B
SCHEMBL4898690 0.85 CNR2 (0.40) KDM4ECNR1CNR2PIK3CA

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 1139/4885CNR1 4694/4885NTRK1 4631/4885

“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.