SCHEMBL3215539

SCHEMBL3215539

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 4/20 0.42
CNR2 P34972 2/20 0.40
SSTR3 P32745 2/20 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
CXCR2 P25025 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
PTK2 Q05397 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
VNN1 O95497 1/20 0.36
CHRNA7 P36544 1/20 0.36
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35

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
SCHEMBL8179120 0.87 PTK2 (0.39) DGAT2CNR2MALT1PTK2VNN1
SCHEMBL3217544 0.85 DGAT2 (0.38) DGAT2CNR2KCNQ3KCNQ2KCNE1
SCHEMBL3229823 0.81 ALDH1A1 (0.39) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3229811 0.81 ALDH1A1 (0.39) DGAT2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3233534 0.81 P2RY12 (0.46) CXCR2
SCHEMBL13429162 0.80 LMNA (0.42) DGAT2NPC1RAB9A
SCHEMBL8179694 0.74 PTK2 (0.37) CNR2PTK2VNN1CHRNA7CNR1
SCHEMBL13428541 0.72 SSTR3 (0.35) DGAT2SSTR3
SCHEMBL13428471 0.72 CA12 (0.45) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8179153 0.71 LMNA (0.37) PTK2RAB9AVNN1CHRNA7

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 1147/4885SSTR3 839/4885

“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.