SCHEMBL1508040

SCHEMBL1508040

COc1ccc(-c2nc3ccc(N4CCCC4)nc3o2)cc1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.97
APP P05067 1/20 0.60
MAPT P10636 6/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PIM1 P11309 1/20 0.49
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL14693892 0.99 MAOB (1.00) MAOBAPPMAPTALDH1A1HSD17B10
SCHEMBL1615485 0.90 MAOB (0.80) MAOBAPPALDH1A1RAB9AHPGD
SCHEMBL14693759 0.84 MAOB (0.76) MAOBMAPTALDH1A1HSD17B10RAB9A
SCHEMBL1508009 0.84 MAOB (0.71) MAOBAPPMAPTALDH1A1HSD17B10
SCHEMBL14693818 0.83 MAOB (1.00) MAOBAPPMAPTALDH1A1HSD17B10
SCHEMBL14707625 0.83 MAOB (0.97) MAOBALDH1A1HSD17B10RAB9AHPGD
SCHEMBL14707626 0.83 MAOB (0.97) MAOBMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL14693948 0.82 MAOB (1.00) MAOBMAPTALDH1A1HSD17B10HPGD
SCHEMBL1615252 0.82 MAOB (0.70) MAOBAPPMAPTALDH1A1KDM4E
SCHEMBL1614467 0.82 MAOB (0.67) MAOBAPPMAPTALDH1A1HSD17B10

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 18 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
EP-2300481-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES Merck Sharp & Dohme Corp. (US) 2011-03-30 EP 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-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
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 MAOB 21/4885APP 2/4885MAPT 23/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT MAOB 1/4885APP 73/4885MAPT 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.