SCHEMBL1249912

SCHEMBL1249912

CN(C)c1ccc(-c2cc(-c3ccc(OCCF)nc3)n[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.45
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HPGDS O60760 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
OXTR P30559 1/20 0.37
LTB4R Q15722 1/20 0.37
FYN P06241 1/20 0.36

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
SCHEMBL1608466 0.78 APP (0.52) APPNPC1MAPTMAPK1RAB9A
SCHEMBL12573274 0.78 APP (0.57) APPNPC1MAPTMAPK1RAB9A
SCHEMBL1249856 0.78 MEN1 (0.45) APPNPC1MAPTMAPK1RAB9A
SCHEMBL1607485 0.73 APP (0.45) APPNPC1MAPTMAPK1RAB9A
SCHEMBL1251703 0.73 APP (0.52) APPNPC1MAPTMAPK1RAB9A
SCHEMBL13863154 0.71 APP (0.56) APPNPC1MAPTRAB9A
SCHEMBL1250859 0.71 RAB9A (0.79) APPNPC1MAPTMAPK1RAB9A
SCHEMBL13863150 0.71 APP (0.56) APPNPC1MAPTRAB9A
SCHEMBL1250279 0.71 RAB9A (0.79) APPNPC1MAPTMAPK1RAB9A
SCHEMBL1249681 0.70 TNIK (0.55) APPNPC1MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US claimed
EP-2285789-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES Merck Sharp & Dohme Corp. (US) 2011-02-23 EP claimed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 WO claimed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 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 (1 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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles APP, PSEN1, BACE1 APP 1/4885NPC1 129/4885MAPT 7/4885

“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.