Sugi Predict

Sugi Predict / Compounds / SCHEMBL967090

SCHEMBL967090

SCHEMBL967090

CN(C)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 2/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ APLNR P35414 2/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ CALCA P06881 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL966890 0.91 TP53 (0.39) COMTRAB9ATP53L3MBTL1HPGD
SCHEMBL970508 0.87 L3MBTL1 (0.42) RAB9ATP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL970113 0.86 KMT2A (0.44) COMTRAB9AL3MBTL1HPGDSMN1; SMN2
SCHEMBL967602 0.85 TP53 (0.39) RAB9ATP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL966611 0.84 SLC40A1 (0.42) RAB9ATP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL967067 0.83 ALOX12 (0.41) RAB9ATP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL965525 0.82 GSK3A (0.39) RAB9ATP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL3559789 0.82 TP53 (0.39) RAB9ATP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL968821 0.82 COMT (0.39) COMTRAB9ATP53L3MBTL1HPGD
SCHEMBL965998 0.82 NPC1 (0.40) COMTRAB9ATP53L3MBTL1HPGD

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 8 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-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

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 1043/4885RAB9A 2668/4885TP53 1946/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR COMT 1043/4885RAB9A 2668/4885TP53 1946/4885

“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.