SCHEMBL1507971

SCHEMBL1507971

Cc1nc2ccc(-c3nc4ccc(F)nc4o3)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 17/20 0.63
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAOB P27338 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
SCHEMBL1615274 0.77 APP (1.00) APP
SCHEMBL4847665 0.76 NPC1 (0.71) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL1507846 0.73 APP (0.59) APPSMN1; SMN2KDM4ELMNATP53
SCHEMBL13862702 0.72 APP (0.58) APPSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL1613851 0.72 APP (0.65) APPMAOB
SCHEMBL1507835 0.71 APP (1.00) APPNPC1RAB9AMAOB
SCHEMBL1508001 0.71 APP (1.00) APPMAOB
SCHEMBL1614996 0.70 APP (0.60) APPMAOB
SCHEMBL1507850 0.70 APP (0.59) APPSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL1507814 0.70 APP (1.00) APPMAOB

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 19 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-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 US 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 APP 2/4885SMN1; SMN2 2218/4885KDM4E 182/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT APP 73/4885SMN1; SMN2 2185/4885KDM4E 165/4885

“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.