SCHEMBL4576446

SCHEMBL4576446

CN(C)C(=O)COc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 5/20 0.34
BRPF1 P55201 1/20 0.34
GRIN1 Q05586 2/20 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
SCHEMBL4898107 0.91 ALDH1A1 (0.40) GRIN2BMEN1LMNAKMT2ABRPF1
SCHEMBL4591069 0.90 MEN1 (0.38) GRIN2BMEN1LMNAKMT2AHIF1A
SCHEMBL4591140 0.89 HIF1A (0.37) GRIN2BMEN1LMNAKMT2AHIF1A
SCHEMBL4900430 0.88 KDM4E (0.41) MEN1KMT2AHIF1ABRPF1
SCHEMBL14067465 0.88 HIF1A (0.38) GRIN2BMEN1KMT2AHIF1ABRPF1
SCHEMBL4575589 0.88 HRH1 (0.39) MEN1LMNAKMT2AHIF1ABRPF1
SCHEMBL5546555 0.88 HDAC3 (0.38) GRIN2BMEN1KMT2AHIF1AGRIN1
SCHEMBL4906329 0.88 HIF1A (0.38) GRIN2BMEN1KMT2AHIF1ABRPF1
SCHEMBL4576192 0.87 GRIN2B (0.38) GRIN2BGRIN1
SCHEMBL4576187 0.85 GRIN2B (0.36) GRIN2BHIF1AGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 GRIN2B 4068/4885MEN1 4841/4885LMNA 4059/4885

“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.