SCHEMBL969654

SCHEMBL969654

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.37
APLNR P35414 2/20 0.36
HPGDS O60760 1/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTT P42858 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
SCHEMBL969924 0.92 PTGDR2 (0.39) COMTAPLNRRAB9AHPGDSMN1; SMN2
SCHEMBL967903 0.86 CYP1A2 (0.43) HPGDSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL968711 0.84 MAOB (0.39) APLNRRAB9AHPGDSMN1; SMN2NPC1
SCHEMBL967882 0.84 PTGS2 (0.44) COMTRAB9ANPC1
SCHEMBL969393 0.84 NPC1 (0.40) APLNRRAB9AHPGDSMN1; SMN2NPC1
SCHEMBL971578 0.84 CYP17A1 (0.41) RAB9ASMN1; SMN2NPC1MEN1MAPT
SCHEMBL969732 0.83 RAB9A (0.44) APLNRRAB9AHPGDSMN1; SMN2NPC1
SCHEMBL969587 0.83 NPC1 (0.38) APLNRRAB9AHPGDSMN1; SMN2NPC1
SCHEMBL968926 0.83 HDAC6 (0.39) APLNRRAB9AHPGDSMN1; SMN2NPC1
SCHEMBL966056 0.83 NPC1 (0.38) COMTRAB9AHPGDSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
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
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP 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
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR COMT 1043/4885APLNR 2549/4885HPGDS 2612/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR COMT 1043/4885APLNR 2549/4885HPGDS 2612/4885

“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.