SCHEMBL3531193

SCHEMBL3531193

O=S(=O)(O)c1ncc2cccc(O)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.53
ALOX12 P18054 4/20 0.53
METAP2 P50579 2/20 0.43
COMT P21964 2/20 0.43
TSHR P16473 2/20 0.43
MMP2 P08253 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KMT2A Q03164 2/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
PIM1 P11309 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13313248 0.85 KDM4E (0.47) KDM4EALOX12METAP2COMTTSHR
SCHEMBL7372803 0.73 L3MBTL1 (0.41) KDM4ETSHRHDAC8ALDH1A1CYP1A2
SCHEMBL481403 0.71 KDM4E (0.56) KDM4EALOX12METAP2COMTTSHR
SCHEMBL28859362 0.71 METAP2 (0.48) KDM4EALOX12METAP2COMTTSHR
SCHEMBL3234136 0.71 METAP2 (0.55) KDM4EALOX12METAP2COMTTSHR
SCHEMBL14258164 0.71 METAP2 (0.48) KDM4EALOX12METAP2COMTTSHR
SCHEMBL1632414 0.71 METAP2 (0.48) KDM4EALOX12METAP2COMTTSHR
SCHEMBL1041168 0.71 PLAU (0.55) KDM4EALOX12METAP2COMTTSHR
SCHEMBL1634276 0.71 METAP2 (0.48) KDM4EALOX12METAP2COMTTSHR
SCHEMBL3243139 0.70 KDM4E (0.54) KDM4EALOX12METAP2COMTTSHR

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
EP-1558585-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2013-09-25 EP disclosed
CN-1720238-B Neurologically-active compounds PRANA BIOTECHNOLOGY LTD 2011-08-03 CN disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
EP-1558585-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2008-07-02 EP disclosed
US-20060167000-A1 Neurologically-active compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2006-07-27 US disclosed
CN-1720238-A Neurologically-active compounds PRANA BIOTECHNOLOGY LTD (AU) 2006-01-11 CN disclosed
EP-1558585-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Ltd (AU) 2005-08-03 EP disclosed
WO-2004031161-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2004-04-15 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-20060167000-A1 Neurologically-active compounds ACHE, PSEN1, PSEN2 KDM4E 3333/4885ALOX12 2319/4885METAP2 2008/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 KDM4E 3329/4885ALOX12 2286/4885METAP2 1931/4885

“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.