SCHEMBL1614949

SCHEMBL1614949

COc1ccc(-c2nc3cccnc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.61
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 5/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MAOB P27338 1/20 0.52
ADRB2 P07550 1/20 0.52
SGMS2 Q8NHU3 3/20 0.51
CLK4 Q9HAZ1 1/20 0.49
ACHE P22303 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL13998685 0.85 ALDH1A1 (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11745194 0.84 SGMS2 (0.60) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2244448 0.83 NPC1 (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13998715 0.82 HPGD (0.57) APPKDM4EALDH1A1NPC1RAB9A
SCHEMBL12910410 0.81 HPGD (0.56) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9867688 0.80 SGMS2 (0.55) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24454863 0.80 RAB9A (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9868635 0.80 HPGD (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30787109 0.80 RAB9A (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29686704 0.80 RAB9A (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5077408-A PROCESS FOR THE SYNTHESIS OF OXAZOLOPYRIDINE COMPOUNDS SCIENCE ET ORGANISATION (FR) 1991-12-31 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 2/4885KDM4E 182/4885ALDH1A1 2376/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT APP 73/4885KDM4E 165/4885ALDH1A1 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.