SCHEMBL4575647

SCHEMBL4575647

CN(C)C(=O)c1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.34
MAPK14 Q16539 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 3/20 0.32
PGR P06401 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TACR1 P25103 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL4575726 0.92 GRIN2B (0.35) GRIN2BMEN1KMT2AHIF1APGR
SCHEMBL4591168 0.91 HCRTR1 (0.33) GRIN2BMEN1KMT2AHIF1AKDM4E
SCHEMBL4590935 0.90 MEN1 (0.35) MEN1KMT2AHIF1AKDM4E
SCHEMBL4591644 0.88 MEN1 (0.39) MAPK14MEN1KMT2AHIF1A
SCHEMBL5545343 0.88 MEN1 (0.36) GRIN2BMAPK14MEN1KMT2AHIF1A
SCHEMBL4909162 0.87 KDM4E (0.43) MAPK14MEN1KMT2AHIF1AKDM4E
SCHEMBL4591362 0.87 MEN1 (0.34) GRIN2BMEN1KMT2AHIF1AKDM4E
SCHEMBL4576192 0.86 GRIN2B (0.38) GRIN2BGRIN1
SCHEMBL4905474 0.86 MEN1 (0.38) GRIN2BMEN1KMT2AHIF1AKDM4E
SCHEMBL4591077 0.86 MEN1 (0.39) MEN1KMT2AHIF1A

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 4068/4885MAPK14 2377/4885MEN1 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.