SCHEMBL459017

SCHEMBL459017

OCCc1ccncc1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
KCNH3 Q9ULD8 1/20 0.41
SCN9A Q15858 1/20 0.38
AOC1 P19801 3/20 0.36
AOC3 Q16853 3/20 0.36
NAMPT P43490 1/20 0.35
RPS6KA3 P51812 5/20 0.34
TGFBR1 P36897 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TKT P29401 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL21633180 0.88 LOXL2 (0.55) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL501250 0.83
SCHEMBL27140192 0.81 LOXL2 (0.73) LOXL2KCNH3AOC1AOC3HTR6
SCHEMBL30824586 0.81 LOXL2 (0.73) LOXL2KCNH3AOC1AOC3HTR6
SCHEMBL2090251 0.79 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL3878756 0.79 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3NAMPT
SCHEMBL10284177 0.79 LOXL2 (0.59) LOXL2KCNH3AOC1AOC3NAMPT
Hydrochloric Acid SCHEMBL28577547 0.78 AOC1 (0.42) LOXL2SCN9AAOC1AOC3RPS6KA3
SCHEMBL23580003 0.77 LOXL2 (0.52) LOXL2
SCHEMBL16212886 0.75 PARP1 (0.37) LOXL2SCN9AAOC1AOC3RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688891-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
WO-2012126901-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
EP-2069364-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2009-06-17 EP disclosed
WO-2008039138-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3 ] THIAZOLO [4, 5-D] PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 WO disclosed
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
CN-1438999-A Serine protease inhibitors LILLY CO ELI (US) 2003-08-27 CN disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO 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 (3 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 LOXL2 23/4885KCNH3 4329/4885SCN9A 2149/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 LOXL2 62/4885KCNH3 4224/4885SCN9A 1439/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 LOXL2 62/4885KCNH3 4224/4885SCN9A 1439/4885

“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.