SCHEMBL969587

SCHEMBL969587

CSc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
APLNR P35414 4/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4C Q08493 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 3/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL967419 0.90 NPC1 (0.42) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL969393 0.87 NPC1 (0.40) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL969732 0.86 RAB9A (0.44) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL968711 0.85 MAOB (0.39) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL969924 0.85 PTGDR2 (0.39) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL968926 0.84 HDAC6 (0.39) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL966296 0.84 NPC1 (0.42) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL968387 0.84 SMN1; SMN2 (0.44) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL971578 0.83 CYP17A1 (0.41) NPC1SMN1; SMN2RAB9AABCG2TSHR
SCHEMBL969654 0.83 COMT (0.37) NPC1HPGDSMN1; SMN2RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP claimed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO 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-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
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 NPC1 220/4885HPGD 1538/4885SMN1; SMN2 4318/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR NPC1 220/4885HPGD 1538/4885SMN1; SMN2 4318/4885

“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.