SCHEMBL4591225

SCHEMBL4591225

COCc1cc(F)ccc1Cc1cnc2c(OC)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.34
KDM4C Q9H3R0 3/20 0.34
KDM5B Q9UGL1 3/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GRIN2B Q13224 4/20 0.33
GRIN1 Q05586 3/20 0.33
EDNRB P24530 1/20 0.33
PTGER1 P34995 1/20 0.33
GRM2 Q14416 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
SCHEMBL4591622 0.90 HIF1A (0.34) MAPTKMT2AMEN1GAAPTGER1
SCHEMBL4908673 0.87 MAPK14 (0.38) TP53MAPTTHRBKMT2AMEN1
SCHEMBL4661974 0.84 KDM4E (0.35) MAPTKMT2AMEN1
SCHEMBL14067537 0.83 ALDH1A1 (0.37) MAPTKMT2AMEN1
SCHEMBL5546555 0.81 HDAC3 (0.38) KMT2AMEN1GAAGRIN2BGRIN1
SCHEMBL4907852 0.81 ALDH1A1 (0.38) MAPTKMT2AMEN1GAA
SCHEMBL4898051 0.81 TSHR (0.36) MAPTTHRBKMT2AMEN1GAA
SCHEMBL4907766 0.81 ALDH1A1 (0.36) MAPTKMT2AMEN1
SCHEMBL4903149 0.81 ALDH1A1 (0.36) MAPTKMT2AMEN1
SCHEMBL4660296 0.80 LMNA (0.36) MAPTKMT2AMEN1GAAGRIN2B

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 KDM5A 1223/4885KDM4C 1614/4885KDM5B 1284/4885

“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.