SCHEMBL109231

SCHEMBL109231

NNC(=O)c1ccc(F)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
GFER P55789 1/20 0.67
MAPT P10636 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
MITF O75030 1/20 0.53
KMT2A Q03164 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
KDM4E B2RXH2 5/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA9 Q16790 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL1639721 0.85 P2RX1 (0.54) ALDH1A1GFERMAPTTDP1GAA
SCHEMBL30690119 0.82 MPO (0.53) ALDH1A1GFERGAAKDM4ECES2
SCHEMBL108531 0.82 CES2 (0.61) ALDH1A1GFERMAPTGAAKDM4E
SCHEMBL8106017 0.82 MPO (0.53) ALDH1A1GFERGAAKDM4ECES2
SCHEMBL1774955 0.81 GAA (0.48) ALDH1A1GFERMAPTGAAKDM4E
SCHEMBL1303113 0.80 ALDH1A1 (1.00) ALDH1A1GFERMAPTTDP1GAA
SCHEMBL24013508 0.79 ALDH1A1 (0.46) ALDH1A1GFERMAPTTDP1GAA
SCHEMBL3147754 0.79 KDM4E (0.68) ALDH1A1GFERMAPTKDM4EHPGD
SCHEMBL20447555 0.79 ALDH1A1 (0.46) ALDH1A1GFERMAPTMEN1KMT2A
SCHEMBL1264279 0.78 ALDH1A1 (0.69) ALDH1A1GFERMAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP disclosed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 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 (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-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS APP, APBA1, BACE1 ALDH1A1 592/4885GFER 466/4885MAPT 85/4885
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 ALDH1A1 2283/4885GFER 1207/4885MAPT 3521/4885

“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.