SCHEMBL966977

SCHEMBL966977

O=C(O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 3/20 0.39
TTR P02766 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TGFBR1 P36897 1/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
APLNR P35414 2/20 0.38
MAPK14 Q16539 1/20 0.38
RCE1 Q9Y256 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL966340 0.92 NPC1 (0.41) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL969732 0.91 RAB9A (0.44) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL968926 0.90 HDAC6 (0.39) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL967833 0.90 HDAC6 (0.43) NPC1RAB9AHDAC6HPGDSMN1; SMN2
SCHEMBL971352 0.90 ATR (0.45) NPC1RAB9AHPGDTP53USP2
SCHEMBL967551 0.88 NPC1 (0.57) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL968387 0.88 SMN1; SMN2 (0.44) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL968076 0.87 APLNR (0.41) NPC1RAB9AHDAC6TP53APLNR
SCHEMBL965646 0.87 AR (0.43) HDAC6TP53POLB
SCHEMBL966861 0.86 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2TP53

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 13 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-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 220/4885RAB9A 2668/4885HDAC6 3003/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR NPC1 220/4885RAB9A 2668/4885HDAC6 3003/4885

“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.