SCHEMBL4692806

SCHEMBL4692806

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)S(=O)(=O)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
COMT P21964 4/20 0.36
TACR1 P25103 4/20 0.35
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.33
KAT2B Q92831 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
APP P05067 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CXCR3 P49682 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
SCHEMBL14573852 0.91 TACR1 (0.34) TACR1KAT2BPTGDR2
SCHEMBL12378084 0.91 KDM4E (0.38) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4693189 0.89 COMT (0.38) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL29390607 0.89 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4652222 0.89 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4691035 0.88 KDM4E (0.38) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4694673 0.88 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4693753 0.88 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL5648708 0.88 COMT (0.37) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4696056 0.88 COMT (0.37) KDM4ELMNAHSP90AA1MAPTHTT

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
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS KDM4E 1723/4885LMNA 905/4885HSP90AA1 3720/4885

“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.