SCHEMBL13428579

SCHEMBL13428579

CC(C)OCCCNc1ncc(/C=C/C(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MAPT P10636 4/20 0.39
MET P08581 1/20 0.39
GCK P35557 1/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 1/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL13428585 0.94 ALDH1A1 (0.44) ALDH1A1PIM1PIM2MAPTMET
SCHEMBL13429123 0.89 HDAC1 (0.41) ALDH1A1MAPTRAB9AMCHR1MEN1
SCHEMBL8179173 0.87 PIM1 (0.40) ALDH1A1PIM1PIM2MAPTGCK
SCHEMBL13428507 0.83 MAPT (0.41) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL13428584 0.83 RAB9A (0.48) ALDH1A1PIM1PIM2RAB9AKDM4E
SCHEMBL13429099 0.83 HDAC1 (0.40) ALDH1A1
SCHEMBL13428589 0.82 ALDH1A1 (0.46) ALDH1A1PIM1PIM2METGCK
SCHEMBL3225269 0.80 RAB9A (0.49) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL13428825 0.80 ALDH1A1 (0.51) ALDH1A1PIM2MAPTMETGCK
SCHEMBL3225286 0.80 RAB9A (0.49) ALDH1A1RAB9AKDM4ENPC1KMT2A

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 1516/4885PIM1 4321/4885PIM2 4195/4885

“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.