SCHEMBL13428544

SCHEMBL13428544

CN(C(=O)CNc1ncc(/C=C/C(=O)NOC2CCCCO2)cc1Cl)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KLF5 Q13887 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TGFBR1 P36897 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL13428566 0.85 CCNA2 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13428499 0.84 P2RX3 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13428496 0.84 NR1H4 (0.34) ALDH1A1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL8194345 0.84 CCNA2 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13428522 0.84 CCNA2 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13429157 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8178636 0.82 TGFBR1 (0.37) ALDH1A1NPC1RAB9AL3MBTL1TGFBR1
SCHEMBL13428587 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13428532 0.81 MCHR1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL4221748 0.81 CCNA2 (0.38) MEN1KMT2ANPC1RAB9AL3MBTL1

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 1516/4885MEN1 2025/4885KMT2A 31/4885

“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.