SCHEMBL4938840

SCHEMBL4938840

N[C@@H](CCCC(=O)NCc1ccccn1)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 4/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2C9 P11712 1/20 0.51
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
BACE1 P56817 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4935897 0.93 HPGD (0.56) SMN1; SMN2HPGDALOX15TDP1CYP1A2
SCHEMBL4935923 0.93 HPGD (0.56) SMN1; SMN2HPGDALOX15TDP1CYP1A2
SCHEMBL4930599 0.81 GAA (0.62) MEN1KMT2AHTTALDH1A1
SCHEMBL12125320 0.80 SMN1; SMN2 (0.80) SMN1; SMN2HPGDALOX15TDP1CYP1A2
SCHEMBL31369738 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HPGDALOX15TDP1CYP1A2
SCHEMBL16150930 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2KDM4EPOLBMEN1
SCHEMBL16150929 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2KDM4EPOLBMEN1
SCHEMBL1696118 0.76 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1CYP1A2
SCHEMBL9385223 0.76 SMN1; SMN2 (1.00) SMN1; SMN2HPGDALOX15TDP1CYP1A2
SCHEMBL8869291 0.76 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1CYP1A2

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 SMN1; SMN2 3068/4885HPGD 65/4885ALOX15 1458/4885

“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.