SCHEMBL4908673

SCHEMBL4908673

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.38
MAPK11 Q15759 3/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 2/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CNR2 P34972 2/20 0.33
ACSS2 Q9NR19 1/20 0.33
GABRA5 P31644 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL4906700 0.91 KDM4E (0.43) MAPK14MAPK11KDM4EEGLN1MEN1
SCHEMBL4591225 0.87 KDM5A (0.34) TP53GRIN1GRIN2BMAPTTHRB
SCHEMBL14067487 0.85 MEN1 (0.39) KDM4EMAPTEGLN1MEN1KMT2A
SCHEMBL4591311 0.83 KDM4E (0.42) MAPK14MAPK11KDM4EMEN1KMT2A
SCHEMBL4906293 0.82 KDM4E (0.48) MAPK14MAPK11KDM4EMEN1KMT2A
SCHEMBL4591057 0.81 KDM4E (0.42) MAPK14MAPK11KDM4EMEN1KMT2A
SCHEMBL4906366 0.80 KDM4E (0.44) MAPK14MAPK11KDM4EMEN1KMT2A
SCHEMBL4908796 0.80 MEN1 (0.42) KDM4EGRIN1GRIN2BEGLN1MEN1
SCHEMBL4901060 0.80 KDM4E (0.43) MAPK14MAPK11KDM4EMEN1KMT2A
SCHEMBL4591622 0.80 HIF1A (0.34) MAPTEGLN1MEN1KMT2A

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 MAPK14 2377/4885MAPK11 2598/4885KDM4E 1139/4885

“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.