SCHEMBL13428981

SCHEMBL13428981

CCOC(=O)/C=C/c1cnc(NCCNC(=O)c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNA7 P36544 1/20 0.39
RAB9A P51151 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3227039 0.86 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1RAB9AMAOB
SCHEMBL3227025 0.86 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1RAB9AMAOB
SCHEMBL13429102 0.84 HDAC1 (0.47) ALDH1A1
SCHEMBL13428983 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL3224470 0.83 HDAC1 (0.47) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3224444 0.83 HDAC1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL13428547 0.81 STK17B (0.47) ALDH1A1KDM4EL3MBTL1TTRDPP4
SCHEMBL13428988 0.81 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL13428982 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL3223938 0.74 NPC1 (0.39) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT

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 1516/4885SMN1; SMN2 3352/4885KDM4E 253/4885

“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.