SCHEMBL4575589

SCHEMBL4575589

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.39
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HIF1A Q16665 4/20 0.34
BRPF1 P55201 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PADI4 Q9UM07 1/20 0.33
TDO2 P48775 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ERCC5 P28715 1/20 0.32

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
SCHEMBL4904850 0.88 KDM4E (0.41) HRH1KDM4EHIF1ABRPF1MEN1
SCHEMBL4904302 0.88 HIF1A (0.38) HIF1ABRPF1MEN1KMT2A
SCHEMBL4576446 0.88 GRIN2B (0.36) LMNAHIF1ABRPF1MEN1KMT2A
SCHEMBL5546555 0.88 HDAC3 (0.38) HIF1AMEN1KMT2AERCC5
SCHEMBL4591069 0.86 MEN1 (0.38) LMNAHIF1ABRPF1MEN1KMT2A
SCHEMBL4591362 0.86 MEN1 (0.34) KDM4EHIF1AALDH1A1TDO2MEN1
SCHEMBL4591140 0.85 HIF1A (0.37) LMNAHIF1AMEN1KMT2A
SCHEMBL4576555 0.85 DRD1 (0.43) DRD1DRD4DRD5KDM4EALDH1A1
SCHEMBL5545343 0.85 MEN1 (0.36) KDM4ELMNAHIF1AALDH1A1MEN1
SCHEMBL5548083 0.84 MEN1 (0.35) KDM4ELMNAHIF1AALDH1A1MEN1

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 HRH1 4335/4885DRD2 3288/4885DRD1 3256/4885

“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.