Sugi Predict

Sugi Predict / Compounds / SCHEMBL968711

SCHEMBL968711

SCHEMBL968711

CC(=O)c1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ APLNR P35414 3/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL968926 0.92 HDAC6 (0.39) APLNRNPC1RAB9AHDAC6HPGD
SCHEMBL971578 0.89 CYP17A1 (0.41) ATRNPC1MEN1KMT2ARAB9A
SCHEMBL967079 0.89 APLNR (0.49) APLNRHDAC6TP53POLBTHRB
SCHEMBL969393 0.86 NPC1 (0.40) APLNRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL970545 0.86 MAPT (0.39) APLNRNPC1RAB9AHDAC6HPGD
SCHEMBL969924 0.86 PTGDR2 (0.39) MAOBATRAPLNRNPC1RAB9A
SCHEMBL969732 0.86 RAB9A (0.44) APLNRNPC1RAB9AHDAC6HPGD
SCHEMBL969587 0.85 NPC1 (0.38) APLNRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL969654 0.84 COMT (0.37) MAOBAPLNRNPC1MEN1KMT2A
SCHEMBL967819 0.84 APLNR (0.38) APLNRMEN1KMT2ASMN1; 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 10 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
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 MAOB 2710/4885ATR 956/4885APLNR 2549/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR MAOB 2710/4885ATR 956/4885APLNR 2549/4885

“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.