SCHEMBL3683699

SCHEMBL3683699

CC(C)(C)OC(=O)N1CC(NC(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
POLR1A O95602 1/20 0.41
GABRA5 P31644 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
USP30 Q70CQ3 5/20 0.38
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
RIPK1 Q13546 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
NR1H2 P55055 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
SCHEMBL7493612 0.90 HDAC4 (0.35) HDAC4HDAC6CNR1CNR2
SCHEMBL3688495 0.88 CFTR (0.37) HDAC4HDAC6POLR1AGPR119ADORA2A
SCHEMBL7496417 0.85 RIPK1 (0.38) HDAC4RIPK1CNR1CNR2
SCHEMBL3705573 0.84 F2R (0.39) HDAC6RIPK1
SCHEMBL3709595 0.84 HDAC4 (0.35) HDAC4HDAC6POLR1A
SCHEMBL7501903 0.84 GRIN2B (0.37) HDAC4CNR1
Hydrochloric Acid SCHEMBL3687760 0.83 HDAC4 (0.34) HDAC4HDAC6POLR1A
SCHEMBL7492843 0.83 ADORA2A (0.41) HDAC4HDAC6GPR119USP30ADORA2A
SCHEMBL3702349 0.83 ADORA2A (0.41) HDAC4HDAC6GPR119USP30ADORA2A
SCHEMBL7501784 0.83 POLB (0.36) HDAC4RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 HDAC4 1478/4885HDAC6 746/4885POLR1A 1712/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HDAC4 1478/4885HDAC6 746/4885POLR1A 1712/4885

“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.