SCHEMBL1614965

SCHEMBL1614965

COc1ccc(-c2nc3ccc(NC(C)C)nc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.61
MAOB P27338 5/20 0.56
MAPT P10636 6/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 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
SCHEMBL13351692 0.85 MAOB (0.70) APPMAOBMAPTNPC1RAB9A
SCHEMBL1615320 0.83 APP (0.63) APPMAOBNPC1RAB9AALDH1A1
SCHEMBL1615288 0.79 APP (0.57) APPMAOBMAPTNPC1RAB9A
SCHEMBL1615516 0.78 APP (0.56) APPMAOBMAPTNPC1RAB9A
SCHEMBL1615447 0.77 APP (0.55) APPMAOBMAPTNPC1RAB9A
SCHEMBL1614841 0.76 APP (0.69) APPMAOBMAPTNPC1RAB9A
SCHEMBL1615277 0.74 APP (0.66) APPMAOBMAPTNPC1RAB9A
SCHEMBL1508040 0.73 MAOB (0.97) APPMAOBMAPTNPC1RAB9A
SCHEMBL14693892 0.72 MAOB (1.00) APPMAOBMAPTNPC1RAB9A
SCHEMBL1614949 0.71 APP (0.61) APPMAOBMAPTNPC1RAB9A

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 14 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
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US 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-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
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 US disclosed
WO-2010051196-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-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.