SCHEMBL967409

SCHEMBL967409

Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(N2CCCS2(O)O)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALCA P06881 6/20 0.49
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APLNR P35414 2/20 0.32
PARP1 P09874 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
SCHEMBL967712 0.97 CALCA (0.52) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL967404 0.91 CALCA (0.60) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL967710 0.88 CALCA (0.64) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL966990 0.88 CALCA (0.46) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL966649 0.86 CALCA (0.43) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL966991 0.86 CALCA (0.49) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL966648 0.84 CALCA (0.46) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL967599 0.82 L3MBTL1 (0.41) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL968379 0.81 CALCA (0.41) CALCARAB9AL3MBTL1SMN1; SMN2TP53
SCHEMBL967176 0.81 CALCA (0.43) CALCARAB9AL3MBTL1SMN1; 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 3 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-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 4461/4885RAB9A 2668/4885L3MBTL1 2808/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885RAB9A 2668/4885L3MBTL1 2808/4885

“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.