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Sugi Predict / Compounds / SCHEMBL967706

SCHEMBL967706

SCHEMBL967706

Oc1c(-c2nnc(Cc3ccc(Cl)cc3)[nH]2)nc(N2CCCCS2(O)O)c2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 6/20 0.41
▸ HSP90AA1 P07900 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ METAP2 P50579 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ PSMD14 O00487 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ COMT P21964 1/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ ADRA1B P35368 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL965779 0.92 CALCA (0.48) CALCAHSP90AA1MAPTKDM4ELMNA
SCHEMBL968042 0.92 CALCA (0.50) CALCAHSP90AA1MAPTKDM4ELMNA
SCHEMBL967390 0.92 CALCA (0.42) CALCAHSP90AA1KDM4ELMNAHTT
SCHEMBL967705 0.91 CALCA (0.51) CALCAHSP90AA1MAPTKDM4ELMNA
SCHEMBL966049 0.90 CALCA (0.43) CALCAHSP90AA1KDM4ELMNAHTT
SCHEMBL966987 0.88 CALCA (0.50) CALCAHSP90AA1KDM4ELMNAHTT
SCHEMBL965627 0.88 CALCA (0.51) CALCAHSP90AA1MAPTKDM4ELMNA
SCHEMBL967789 0.86 CALCA (0.42) CALCAHSP90AA1MAPTKDM4ELMNA
SCHEMBL968247 0.86 CALCA (0.52) CALCAHSP90AA1KDM4ELMNAHTT
SCHEMBL966272 0.85 CALCA (0.47) CALCAHSP90AA1MAPTKDM4ELMNA

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 7 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-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

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 CALCA 4461/4885HSP90AA1 2369/4885MAPT 1418/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885HSP90AA1 2369/4885MAPT 1418/4885

“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.