SCHEMBL13428587

SCHEMBL13428587

CN(C(=O)CNc1ncc(/C=C/C(=O)O)cc1Cl)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
KLF5 Q13887 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PYGL P06737 4/20 0.39
PRMT3 O60678 1/20 0.39
MAPT P10636 1/20 0.38
AOC3 Q16853 1/20 0.38
MAPK1 P28482 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
SCHEMBL13429157 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13428502 0.88 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13428544 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13428463 0.81 MEN1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13428568 0.80 HPGD (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13428810 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13428569 0.76 AOC3 (0.41) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4215307 0.76 RAB9A (0.40) ALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL4215301 0.76 RAB9A (0.40) ALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL13428830 0.75 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1

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 1516/4885KMT2A 31/4885MEN1 2025/4885

“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.