SCHEMBL4072645

SCHEMBL4072645

COC(=O)c1nc(NCS(C)(=O)=O)c2cccnc2c1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
EGLN1 Q9GZT9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PSMD14 O00487 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
SLC40A1 Q9NP59 2/20 0.36
MAP2K1 Q02750 1/20 0.36
COMT P21964 1/20 0.36

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
SCHEMBL4076243 0.88 KDM4E (0.40) KDM4EEGLN1L3MBTL1HSP90AA1NPC1
SCHEMBL4065155 0.79 KDM4E (0.55) KDM4EEGLN1L3MBTL1NPC1RAB9A
SCHEMBL3241312 0.78 KDM4E (0.54) KDM4EEGLN1L3MBTL1NPC1RAB9A
SCHEMBL4062569 0.76 KDM4E (0.52) KDM4EEGLN1L3MBTL1HSP90AA1LMNA
SCHEMBL13993803 0.76 KDM4E (0.52) KDM4EEGLN1L3MBTL1HSP90AA1NPC1
SCHEMBL4072643 0.76 KDM4E (0.44) KDM4EEGLN1L3MBTL1ALDH1A1PSMD14
SCHEMBL7258792 0.75 KDM4E (0.51) KDM4EEGLN1L3MBTL1ALDH1A1PSMD14
SCHEMBL3239918 0.75 KDM4E (0.51) KDM4EL3MBTL1HSP90AA1NPC1RAB9A
SCHEMBL966397 0.75 KDM4E (0.51) KDM4EEGLN1L3MBTL1HSP90AA1NPC1
SCHEMBL4765621 0.74 KDM4E (0.43) KDM4EEGLN1L3MBTL1HSP90AA1NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
EP-1664046-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-03-31 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 (4 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-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 KDM4E 354/4885EGLN1 3429/4885L3MBTL1 37/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885EGLN1 3167/4885L3MBTL1 495/4885
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 KDM4E 303/4885EGLN1 3818/4885L3MBTL1 333/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885EGLN1 3167/4885L3MBTL1 495/4885

“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.