SCHEMBL13033201

SCHEMBL13033201

COCCCCNCCCCC(=O)NC(C(C)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 7/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2628429 0.82 ASAH1 (0.46) HPGDALDH1A1GAAHDAC3HDAC4
SCHEMBL13033193 0.81 ALDH1A1 (0.43) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL13033202 0.81 CTSG (0.51) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL13033194 0.80 ALDH1A1 (0.50) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL10832852 0.79 ASAH1 (0.62) ALDH1A1MEN1KMT2A
SCHEMBL13271749 0.78 ASAH1 (0.47) ALDH1A1
SCHEMBL25923095 0.73 GPR88 (0.46) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL25923093 0.73 GPR88 (0.46) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL8468174 0.72 HPGD (0.48) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL15443129 0.71 LMNA (0.51) HPGDALDH1A1KDM4EGAAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 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-20100286035-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR HPGD 2129/4885ALDH1A1 3894/4885KDM4E 4539/4885

“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.