SCHEMBL13429147

SCHEMBL13429147

CC1CCN(C(=O)CCNc2ncc(/C=C/C(=O)NO)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.36
HDAC1 Q13547 5/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 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
SCHEMBL13428573 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL8194320 0.89 NPC1 (0.36) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL13428491 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL13428505 0.83 ALDH1A1 (0.34) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL13428486 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL8179446 0.78 NPC1 (0.38) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL13429111 0.77 HDAC6 (0.44) ALDH1A1HDAC1HDAC3HDAC4HDAC2
SCHEMBL13428803 0.76 ATM (0.48) NPC1ATM
SCHEMBL13429117 0.75 HDAC6 (0.42) ALDH1A1HPGDHDAC1KDM4EHDAC3
SCHEMBL13429119 0.75 HDAC1 (0.47) HPGDHDAC1GLAHDAC3HDAC4

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 2 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

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 1558/4885HPGD 302/4885

“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.