SCHEMBL16619089

SCHEMBL16619089

O=Cc1csc2ccc(C(F)(F)F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
G6PD P11413 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MIF P14174 1/20 0.38
PTPN5 P54829 1/20 0.37
ERN1 O75460 2/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN4A P35499 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL17103692 0.79 CYP2A6 (0.40) CYP2A6G6PDTLR9MIFPTPN5
SCHEMBL5397554 0.77 CYP2A6 (0.64) CYP2A6G6PDERN1MAPTTP53
SCHEMBL8039512 0.74 EPHX2 (0.41) G6PDTLR9MIFPTPN5MAPT
SCHEMBL19735067 0.74 CYP2A6 (0.64) CYP2A6ERN1MAPTMEN1KMT2A
SCHEMBL17139973 0.74 G6PD (0.39) G6PDTLR9MIFPTPN5MAPT
SCHEMBL2022637 0.74 CYP2A6 (1.00) CYP2A6ERN1MAPTTP53
SCHEMBL10742974 0.74 G6PD (0.39) G6PDTLR9MIFPTPN5MAPT
SCHEMBL7332731 0.74 CYP2A6 (0.64) CYP2A6ERN1MAPTTP53MEN1
SCHEMBL3684920 0.74 CYP2A6 (0.55) CYP2A6G6PDTLR9MIFPTPN5
SCHEMBL3640233 0.74 CYP2A6 (0.64) CYP2A6ERN1MAPTTP53LMNA

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-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
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP 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 CYP2A6 776/4885G6PD 1135/4885TLR9 4841/4885

“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.