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SCHEMBL971578

SCHEMBL971578

CC(=O)Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ TOP2A P11388 1/20 0.38
▸ PTGIR P43119 3/20 0.38
▸ KIT P10721 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
SCHEMBL970545 0.92 MAPT (0.39) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL969487 0.91 MEN1 (0.40) NPC1RAB9ATSHRSMN1; SMN2ATR
SCHEMBL967819 0.90 APLNR (0.38) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL968711 0.89 MAOB (0.39) NPC1RAB9ASMN1; SMN2ATRMEN1
SCHEMBL967903 0.88 CYP1A2 (0.43) TSHRSMN1; SMN2ATRMEN1KMT2A
SCHEMBL968754 0.88 NPSR1 (0.36) SMN1; SMN2ABCG2MEN1KMT2A
SCHEMBL968926 0.85 HDAC6 (0.39) NPC1RAB9ATSHRSMN1; SMN2RXFP1
SCHEMBL967602 0.85 TP53 (0.39) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL969393 0.84 NPC1 (0.40) CYP17A1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL969654 0.84 COMT (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP17A1 2516/4885CYP11B1 2414/4885CYP11B2 2792/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CYP17A1 2516/4885CYP11B1 2414/4885CYP11B2 2792/4885

“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.