SCHEMBL3229811

SCHEMBL3229811

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 2/20 0.37
NR3C1 P04150 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C2 P52895 1/20 0.37
MET P08581 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DGAT2 Q96PD7 2/20 0.36
RAB9A P51151 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 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
SCHEMBL3229823 1.00 ALDH1A1 (0.39) ALDH1A1ESR1NR3C1CYP2C9CYP2C19
SCHEMBL13429162 0.90 LMNA (0.42) LMNATP53DGAT2RAB9A
SCHEMBL8179153 0.88 LMNA (0.37) ALDH1A1LMNATP53AKR1C3AKR1C4
SCHEMBL3217544 0.88 DGAT2 (0.38) L3MBTL1DGAT2KCNQ3KCNQ2KCNE1
SCHEMBL3215539 0.81 DGAT2 (0.42) DGAT2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL13428541 0.80 SSTR3 (0.35) ALDH1A1LMNATP53DGAT2KMT2A
SCHEMBL3233534 0.78 P2RY12 (0.46) LMNAL3MBTL1MEN1KMT2A
SCHEMBL13428582 0.75 KMT2A (0.48) ALDH1A1LMNAMETRAB9ABACE1
SCHEMBL8179694 0.75 PTK2 (0.37) TDP1PTGER4
SCHEMBL13428569 0.75 AOC3 (0.41) ALDH1A1ESR1NR3C1CYP2C9CYP2C19

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 ALDH1A1 1516/4885ESR1 3300/4885NR3C1 81/4885

“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.