SCHEMBL3217544

SCHEMBL3217544

CC(C)(CNc1ncc(C=O)cc1Cl)NC(=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.38
CNR2 P34972 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
BACE1 P56817 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CHRNA7 P36544 1/20 0.36
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
PTK2 Q05397 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3229811 0.88 ALDH1A1 (0.39) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3229823 0.88 ALDH1A1 (0.39) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8179694 0.87 PTK2 (0.37) CNR2CHRNA7CTNNB1TCF7L2PTK2
SCHEMBL13429162 0.86 LMNA (0.42) DGAT2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3215539 0.85 DGAT2 (0.42) DGAT2CNR2KCNQ3KCNQ2KCNE1
SCHEMBL3233534 0.83 P2RY12 (0.46) L3MBTL1KDM4ESMN1; SMN2
SCHEMBL13428541 0.76 SSTR3 (0.35) DGAT2
SCHEMBL8179153 0.75 LMNA (0.37) CHRNA7PTK2KDM4E
SCHEMBL8179120 0.74 PTK2 (0.39) DGAT2CNR2CHRNA7CTNNB1TCF7L2
SCHEMBL13428475 0.71 CA12 (0.44) SMN1; SMN2

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
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 DGAT2 2775/4885CNR2 1147/4885KCNQ3 4023/4885

“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.