SCHEMBL658284

SCHEMBL658284

CC(C)([O])c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL179267 0.75 HDAC8 (0.35) HDAC8HSP90AA1KDM4EALDH1A1
SCHEMBL31175998 0.73 HDAC8 (0.33) HDAC8HSP90AA1KDM4EALDH1A1
SCHEMBL28198650 0.73 HDAC8 (0.33) HDAC8HSP90AA1KDM4EALDH1A1
SCHEMBL31194454 0.73 HDAC8 (0.33) HDAC8HSP90AA1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6587339 0.73 KDM4E (0.36) HDAC8HSP90AA1KDM4EALDH1A1
SCHEMBL11878617 0.72 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL8971921 0.71 NPC1 (0.36) HSP90AA1ALDH1A1
SCHEMBL5711286 0.71 HDAC8 (0.32) HDAC8HSP90AA1
SCHEMBL19814728 0.71 HSP90AA1 (0.38) HDAC8HSP90AA1
SCHEMBL22047644 0.71 HDAC8 (0.32) HDAC8HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-23 US disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
EP-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP disclosed
US-7709528-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-04 US disclosed
US-20060287393-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2006-12-21 US disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
EP-1558571-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050080115-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-04-14 US disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004037775-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2004-05-06 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-20060287393-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA HDAC8 1670/4885HSP90AA1 1047/4885KDM4E 4443/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA HDAC8 1670/4885HSP90AA1 1047/4885KDM4E 4443/4885
US-20050080115-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA HDAC8 1670/4885HSP90AA1 1047/4885KDM4E 4443/4885
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA HDAC8 1670/4885HSP90AA1 1047/4885KDM4E 4443/4885

“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.