SCHEMBL3325513

SCHEMBL3325513

O=C(CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
SERPINE1 P05121 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
IGF2BP2 Q9Y6M1 1/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
XBP1 P17861 1/20 0.34
ABL1 P00519 3/20 0.33
PPARA Q07869 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
VNN1 O95497 1/20 0.33
USP36 Q9P275 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL3329633 0.88 RHOC (0.39) MEN1ALDH1A1KMT2AMAPTCYP2D6
SCHEMBL3577239 0.85 PSEN1 (0.42) SERPINE1TRPV1MAPTPKMXBP1
SCHEMBL3325069 0.82 KCNMA1 (0.47) MEN1ALDH1A1KMT2AMAPTPKM
SCHEMBL3328613 0.80 CCNA2 (0.44) GSK3BMEN1KMT2APPARAWNT3A
SCHEMBL2890988 0.79 HDAC2 (0.45) ALDH1A1
SCHEMBL1463053 0.78 ACLY (0.50) ALDH1A1MAPT
SCHEMBL3579750 0.76 DGAT1 (0.42) GSK3BDHODHABL1PPARASCN10A
SCHEMBL3584115 0.76 PSEN1 (0.45) GSK3BMAPTPSEN1PSEN2APH1B
SCHEMBL3582672 0.76 DGAT1 (0.42) GSK3BGCGR
SCHEMBL3579491 0.75 PSEN1 (0.47) TRPV1MAPTABL1PSEN1PSEN2

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-2155700-B1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH AS (DK) 2010-10-06 EP claimed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US claimed
EP-2155700-B1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH AS (DK) 2010-10-06 EP disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
EP-2155700-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-24 EP disclosed
WO-2008135448-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 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-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS KCNAB1, KCNJ2, KCNN3 GSK3B 1665/4885SERPINE1 4167/4885TRPV1 91/4885

“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.