SCHEMBL16629549

SCHEMBL16629549

FC(F)(F)c1ccc2c(c1)cc1n2CCOC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
AKR1C3 P42330 1/20 0.34
AR P10275 1/20 0.34
HTR7 P34969 1/20 0.34
HTR3A P46098 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL18202354 0.80 SIGMAR1 (0.42) ALDH1A1KDM4EPIK3CAPIK3CBPIK3CG
SCHEMBL18527235 0.78 HTR2A (0.56) ALDH1A1LMNAKDM4EPIK3CAPIK3CB
SCHEMBL8133155 0.77 MAPT (0.38) ALDH1A1LMNAKDM4EPIK3CAHTR2A
SCHEMBL1520653 0.74 HTR2A (0.51) KDM4EHTR2AHTR2CL3MBTL1
SCHEMBL31487256 0.74 HTR2A (0.51) KDM4EHTR2AHTR2CL3MBTL1
SCHEMBL11611131 0.74 MEN1 (0.63) ALDH1A1LMNAPIK3CAPIK3CBPIK3CG
SCHEMBL4049833 0.73 HTR2A (0.58) ALDH1A1KDM4EPIK3CAPIK3CBMEN1
SCHEMBL30104796 0.73 HTR2C (0.62) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL31487009 0.72 SIGMAR1 (0.43) ALDH1A1KDM4EPIK3CAPIK3CBPIK3CG
SCHEMBL8132717 0.71 GAA (0.46) ALDH1A1LMNAKDM4EPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 ALDH1A1 1923/4885LMNA 1064/4885KDM4E 2364/4885

“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.