SCHEMBL968076

SCHEMBL968076

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
GABRA5 P31644 3/20 0.38
RIPK1 Q13546 1/20 0.38
NPC1 O15118 2/20 0.38
HDAC1 Q13547 2/20 0.38
ADCY1 Q08828 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC4 P56524 1/20 0.37
CALCA P06881 1/20 0.37

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
SCHEMBL967833 0.92 HDAC6 (0.43) APLNRTP53HDAC6MAPTTHRB
SCHEMBL967079 0.91 APLNR (0.49) APLNRTP53LMNAHDAC6NPSR1
SCHEMBL969973 0.88 NPSR1 (0.42) APLNRTP53NPSR1MAPTTHRB
SCHEMBL966977 0.87 NPC1 (0.42) APLNRTP53LMNAHDAC6MAPT
SCHEMBL966340 0.87 NPC1 (0.41) APLNRTP53LMNAHDAC6MAPT
SCHEMBL965646 0.86 AR (0.43) TP53HDAC6THRBGABRA5RIPK1
SCHEMBL971352 0.86 ATR (0.45) TP53LMNAMAPTNPC1RAB9A
SCHEMBL966056 0.85 NPC1 (0.38) TP53NPSR1MAPTTHRBNPC1
SCHEMBL969487 0.84 MEN1 (0.40) APLNRTP53MAPTNPC1RAB9A
SCHEMBL967819 0.84 APLNR (0.38) APLNRTP53NPSR1MAPTTHRB

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 APLNR 2549/4885TP53 1946/4885LMNA 2352/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR APLNR 2549/4885TP53 1946/4885LMNA 2352/4885

“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.