SCHEMBL1615516

SCHEMBL1615516

CCCCNc1ccc2nc(-c3ccc(OC)cc3)oc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.56
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 2/20 0.50
MAOB P27338 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HSD17B10 Q99714 2/20 0.39
UTRN P46939 1/20 0.39

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
SCHEMBL1615447 0.89 APP (0.55) APPMAPTALDH1A1GAAHPGD
SCHEMBL1615288 0.87 APP (0.57) APPMAPTALDH1A1GAAHPGD
SCHEMBL13351692 0.81 MAOB (0.70) APPMAPTALDH1A1MAOBSMN1; SMN2
SCHEMBL1614965 0.78 APP (0.61) APPMAPTALDH1A1GAAHPGD
SCHEMBL31330488 0.74 HTR1A (0.55) TLR8
SCHEMBL1615295 0.74 APP (0.56) APPMAPTALDH1A1GAAHPGD
SCHEMBL1614841 0.72 APP (0.69) APPMAPTALDH1A1HPGDMAOB
SCHEMBL1508054 0.71 APP (0.63) APPALDH1A1HPGDMAOBSMN1; SMN2
SCHEMBL1615277 0.70 APP (0.66) APPMAPTALDH1A1HPGDMAOB
SCHEMBL1614949 0.67 APP (0.61) APPMAPTALDH1A1HPGDMAOB

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
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-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
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 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 2/4885MAPT 23/4885ALDH1A1 2376/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT APP 73/4885MAPT 107/4885ALDH1A1 509/4885

“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.