SCHEMBL5397156

SCHEMBL5397156

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.46
HPGD P15428 4/20 0.45
GSK3B P49841 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPK14 Q16539 1/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5401536 0.93 HPGD (0.48) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5395665 0.92 LMNA (0.50) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5401107 0.92 LMNA (0.50) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5392825 0.92 KMT2A (0.53) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5403484 0.91 LMNA (0.58) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5407021 0.91 RAB9A (0.54) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5414055 0.90 LMNA (0.53) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5399048 0.89 ALDH1A1 (0.52) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL5406336 0.89 KMT2A (0.55) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5399581 0.88 LMNA (0.55) KMT2AMEN1LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB KMT2A 2451/4885MEN1 891/4885LMNA 308/4885

“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.