SCHEMBL1614970

SCHEMBL1614970

NCc1ccc(-c2nc3ccc(F)nc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 17/20 0.61
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAOB P27338 2/20 0.44

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
SCHEMBL26686827 0.82 KDM4E (0.54) APPKDM4ENPC1ALDH1A1TP53
SCHEMBL26686846 0.82 KDM4E (0.54) APPKDM4ENPC1ALDH1A1TP53
SCHEMBL1508057 0.80 APP (0.64) APPMAOB
SCHEMBL1507835 0.76 APP (1.00) APPNPC1MAOB
SCHEMBL1508001 0.76 APP (1.00) APPMAOB
SCHEMBL1615297 0.75 APP (0.72) APPKDM4ENPC1ALDH1A1TP53
SCHEMBL26686802 0.75 NPC1 (0.64) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL1507831 0.73 APP (0.55) APPMAOB
SCHEMBL26686820 0.73 NPC1 (0.61) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL26686931 0.72 NPC1 (0.64) KDM4ENPC1ALDH1A1TP53HPGD

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 4 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
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-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 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 182/4885NPC1 662/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT APP 73/4885KDM4E 165/4885NPC1 1904/4885

“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.