SCHEMBL1614468

SCHEMBL1614468

CN(C)c1ccc(-c2nc3cccnc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.61
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
MAPT P10636 1/20 0.45
SYK P43405 2/20 0.45
ADRB2 P07550 1/20 0.44
AURKA O14965 1/20 0.43
CYP1A2 P05177 1/20 0.43
SGMS2 Q8NHU3 5/20 0.43
NOTUM Q6P988 1/20 0.41

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
SCHEMBL12710446 0.92 APP (0.64) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL13998685 0.85 ALDH1A1 (0.59) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL27424623 0.84 NPC1 (0.50) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL2244448 0.83 NPC1 (0.58) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL27424130 0.82 NPC1 (0.49) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL27423331 0.82 NPC1 (0.49) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL13998715 0.82 HPGD (0.57) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL27424133 0.81 ALDH1A1 (0.48) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL12910410 0.81 HPGD (0.56) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9867688 0.80 SGMS2 (0.55) NPC1RAB9AKDM4EALDH1A1HPGD

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 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-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 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 2/4885NPC1 662/4885RAB9A 4035/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT APP 73/4885NPC1 1904/4885RAB9A 3938/4885

“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.