SCHEMBL3329633

SCHEMBL3329633

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHOC P08134 12/20 0.39
RHOA P61586 12/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACLY P53396 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
TACR2 P21452 2/20 0.35
TACR1 P25103 2/20 0.35
CYP2D6 P10635 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 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
SCHEMBL3325513 0.88 GSK3B (0.39) ALDH1A1MEN1KMT2AMAPTCYP2D6
SCHEMBL3325069 0.85 KCNMA1 (0.47) ALDH1A1MEN1KMT2AMAPT
SCHEMBL3574142 0.84 PSEN1 (0.44) RHOCRHOAMEN1KMT2APSEN1
SCHEMBL2890988 0.81 HDAC2 (0.45) ALDH1A1ACLY
SCHEMBL3277364 0.81 TRPM2 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3277357 0.81 TRPM2 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3576165 0.80 GRIK1 (0.48) MAPT
SCHEMBL1463053 0.80 ACLY (0.50) ALDH1A1ACLYMAPTTACR1
SCHEMBL3329456 0.79 CA12 (0.44) ALDH1A1MEN1KMT2AACLYKDM4E
SCHEMBL3581371 0.78 NTRK1 (0.53) MEN1KMT2AMAPT

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-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

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 RHOC 4068/4885RHOA 4424/4885ALDH1A1 3067/4885

“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.