SCHEMBL965443

SCHEMBL965443

CCCC(CCC)C(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 3/20 0.35
THRB P10828 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SMO Q99835 1/20 0.34
CALCA P06881 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MME P08473 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
SCHEMBL965525 0.88 GSK3A (0.39) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL967067 0.87 ALOX12 (0.41) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL967602 0.87 TP53 (0.39) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL968024 0.86 APLNR (0.41) APLNRNPC1RAB9ATP53KDM4E
SCHEMBL969907 0.85 NPSR1 (0.39) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL3559789 0.85 TP53 (0.39) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL970508 0.84 L3MBTL1 (0.42) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL966772 0.84 MAPT (0.39) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL966890 0.83 TP53 (0.39) APLNRNPC1RAB9ANPSR1TP53
SCHEMBL966556 0.82 GSK3B (0.40) NPC1RAB9ATP53L3MBTL1HPGD

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 15 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
US-7504727-B2 Semiconductor interconnect structure utilizing a porous dielectric material as an etch stop layer between adjacent non-porous dielectric materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-03-17 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
US-20050258542-A1 Use of a porous dielectric material as an etch stop layer for non-porous dielectric films INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2005-11-24 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 2549/4885NPC1 220/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR APLNR 2549/4885NPC1 220/4885RAB9A 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.