SCHEMBL1614397

SCHEMBL1614397

COCCOCCOc1ccc2nc(-c3ccc(OC)cc3)oc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.56
MAOB P27338 1/20 0.49
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
UTRN P46939 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL13351755 0.87 APP (0.50) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL1615473 0.76 APP (0.53) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL1615288 0.75 APP (0.57) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL17281484 0.74 TP53 (0.47) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL1615447 0.73 APP (0.55) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL1614841 0.72 APP (0.69) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL13351692 0.70 MAOB (0.70) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL1615277 0.70 APP (0.66) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL24454884 0.70 APP (0.54) APPMAOBMAPTSMN1; SMN2TP53
SCHEMBL1614949 0.70 APP (0.61) APPMAOBMAPTSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300481-B1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME (US) 2015-09-30 EP claimed
JP-2011524864-A 2011-09-08 JP claimed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US claimed
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 WO claimed
EP-2300481-B1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME (US) 2015-09-30 EP disclosed
EP-2300481-B1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME (US) 2015-09-30 EP disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 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-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES APBA1, APP, BACE1 APP 2/4885MAOB 21/4885MAPT 23/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT APP 73/4885MAOB 1/4885MAPT 107/4885

“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.