SCHEMBL3228333

SCHEMBL3228333

CN(Cc1ccc(F)cc1)C(=O)CNc1ncc(CO)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HTT P42858 1/20 0.38
RIPK1 Q13546 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CHEK1 O14757 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
FOLH1 Q04609 1/20 0.36
TACR3 P29371 2/20 0.36
KMT2A Q03164 1/20 0.35
CTNNB1 P35222 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
SCHEMBL13428476 0.86 L3MBTL1 (0.40) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL13428569 0.84 AOC3 (0.41) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL3224840 0.83 P2RY12 (0.49) LMNAMAPTL3MBTL1KMT2A
SCHEMBL13429148 0.81 HDAC6 (0.46) MAPT
SCHEMBL13428471 0.79 CA12 (0.45) ALDH1A1LMNARAB9ANPC1NFKB1
SCHEMBL13428456 0.77 HPGD (0.44) ALDH1A1LMNARAB9ANPC1NFKB1
SCHEMBL13428496 0.73 NR1H4 (0.34) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL13428463 0.72 MEN1 (0.43) ALDH1A1LMNARAB9ANPC1L3MBTL1
SCHEMBL3215539 0.72 DGAT2 (0.42) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL13428454 0.70 DRD2 (0.44) LMNAMAPTRAB9ANPC1NFKB1

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 1516/4885LMNA 1558/4885MAPT 3794/4885

“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.