SCHEMBL4906700

SCHEMBL4906700

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 5/20 0.39
MAPK11 Q15759 3/20 0.39
HIF1A Q16665 8/20 0.38
TSHR P16473 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14067487 0.93 MEN1 (0.39) KDM4EMEN1KMT2AHIF1ATSHR
SCHEMBL4591311 0.92 KDM4E (0.42) KDM4EMEN1KMT2AMAPK14MAPK11
SCHEMBL4906293 0.92 KDM4E (0.48) KDM4EMEN1KMT2AMAPK14MAPK11
SCHEMBL4908673 0.91 MAPK14 (0.38) KDM4EMEN1KMT2AMAPK14MAPK11
SCHEMBL4591057 0.90 KDM4E (0.42) KDM4EMEN1KMT2AMAPK14MAPK11
SCHEMBL4906366 0.89 KDM4E (0.44) KDM4EMEN1KMT2AMAPK14MAPK11
SCHEMBL4908796 0.89 MEN1 (0.42) KDM4EMEN1KMT2AHIF1ATSHR
SCHEMBL4901060 0.89 KDM4E (0.43) KDM4EMEN1KMT2AMAPK14MAPK11
SCHEMBL4575745 0.88 MEN1 (0.38) KDM4EMEN1KMT2AHIF1ATSHR
SCHEMBL4591622 0.87 HIF1A (0.34) MEN1KMT2AHIF1AEGLN1

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 KDM4E 1139/4885MEN1 4841/4885KMT2A 682/4885

“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.