SCHEMBL4934072

SCHEMBL4934072

CCCN[C@@H](CCc1nc2ccccc2n1CCC)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.52
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL4934085 1.00 MEN1 (0.53) MEN1KMT2ANPC1GAAHTT
SCHEMBL4927100 0.89 RECQL (0.57) MEN1KMT2ANPC1GAASMN1; SMN2
SCHEMBL4927125 0.89 RECQL (0.57) MEN1KMT2ANPC1GAASMN1; SMN2
SCHEMBL4932155 0.86 SMN1; SMN2 (0.46) MEN1KMT2ANPC1GAAHTT
SCHEMBL4934042 0.85 MEN1 (0.46) MEN1KMT2ANPC1SMN1; SMN2LMNA
SCHEMBL4934054 0.85 MEN1 (0.46) MEN1KMT2ANPC1SMN1; SMN2LMNA
SCHEMBL4937099 0.84 MEN1 (0.48) MEN1KMT2ANPC1GAAHTT
SCHEMBL4937113 0.84 MEN1 (0.48) MEN1KMT2ANPC1GAAHTT
SCHEMBL4928835 0.84 MEN1 (0.56) MEN1KMT2ANPC1GAAHTT
SCHEMBL4928842 0.84 MEN1 (0.56) MEN1KMT2ANPC1GAAHTT

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 MEN1 3049/4885KMT2A 249/4885NPC1 2718/4885

“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.