SCHEMBL16629531

SCHEMBL16629531

Cn1cc(C=O)c2cc(C(F)(F)F)c(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 1/20 0.55
IMPDH2 P12268 1/20 0.45
KIF11 P52732 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 2/20 0.34
TP53 P04637 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL18014679 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EIMPDH2MEN1NPC1
SCHEMBL16728930 0.78 TP53 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18313705 0.75 KIF11 (0.39) KIF11SCN5ASCN9AHTT
SCHEMBL16619395 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EIMPDH2KIF11PSEN1
SCHEMBL1092202 0.71 ALDH1A1 (1.00) ALDH1A1KDM4EIMPDH2MEN1NPC1
SCHEMBL1093250 0.71 ALDH1A1 (0.76) ALDH1A1KDM4EIMPDH2MEN1NPC1
SCHEMBL16729585 0.71 TP53 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18305606 0.71 LMNA (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12725572 0.70 KIF11 (0.47) KIF11ERN1
SCHEMBL12344901 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EIMPDH2MEN1NPC1

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 5 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
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 1923/4885KDM4E 2364/4885IMPDH2 1323/4885

“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.