SCHEMBL968926

SCHEMBL968926

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
APLNR P35414 3/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 4/20 0.38
NR4A2 P43354 1/20 0.38
MAP2K4 P45985 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.36
KDM5A P29375 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TSHR P16473 1/20 0.35
GPR55 Q9Y2T6 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
SCHEMBL968711 0.92 MAOB (0.39) HDAC6APLNRRAB9ASMN1; SMN2NPC1
SCHEMBL966977 0.90 NPC1 (0.42) HDAC6APLNRRAB9ASMN1; SMN2NPC1
SCHEMBL969732 0.88 RAB9A (0.44) HDAC6APLNRRAB9ASMN1; SMN2NPC1
SCHEMBL967079 0.88 APLNR (0.49) HDAC6APLNRTP53THRB
SCHEMBL969393 0.87 NPC1 (0.40) APLNRRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL970545 0.85 MAPT (0.39) HDAC6APLNRRAB9ASMN1; SMN2NPC1
SCHEMBL971578 0.85 CYP17A1 (0.41) RAB9ASMN1; SMN2RXFP1NPC1TSHR
SCHEMBL969924 0.85 PTGDR2 (0.39) APLNRRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL969587 0.84 NPC1 (0.38) APLNRRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL966340 0.84 NPC1 (0.41) HDAC6APLNRRAB9ASMN1; SMN2NPC1

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 9 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-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
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 HDAC6 3003/4885APLNR 2549/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR HDAC6 3003/4885APLNR 2549/4885RAB9A 2668/4885

“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.