SCHEMBL967079

SCHEMBL967079

CC(C)NC(=O)c1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.49
ERN1 O75460 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
TP53 P04637 3/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 1/20 0.37
PDE4A P27815 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 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
SCHEMBL968076 0.91 APLNR (0.41) APLNRHDAC6NPSR1TP53THRB
SCHEMBL968711 0.89 MAOB (0.39) APLNRHDAC6NPSR1TP53THRB
SCHEMBL968926 0.88 HDAC6 (0.39) APLNRHDAC6TP53THRB
SCHEMBL967819 0.88 APLNR (0.38) APLNRNPSR1TP53THRBMAPT
SCHEMBL969973 0.85 NPSR1 (0.42) APLNRNPSR1TP53THRBMAPT
SCHEMBL971578 0.83 CYP17A1 (0.41) MAPT
SCHEMBL967833 0.83 HDAC6 (0.43) APLNRHDAC6TP53THRBMAPT
SCHEMBL969393 0.82 NPC1 (0.40) APLNRTP53THRBLMNAPOLB
SCHEMBL970545 0.82 MAPT (0.39) APLNRHDAC6TP53THRBMAPT
SCHEMBL969654 0.82 COMT (0.37) APLNRTP53THRBMAPTPOLB

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-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 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 (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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR APLNR 2549/4885ERN1 591/4885NR1H2 1377/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR APLNR 2549/4885ERN1 591/4885NR1H2 1377/4885

“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.