SCHEMBL5399437

SCHEMBL5399437

CN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCCc1ccccc1)CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.50
LPAR1 Q92633 6/20 0.49
LTB4R2 Q9NPC1 2/20 0.47
MAPT P10636 1/20 0.47
HSP90AA1 P07900 1/20 0.45
TACR1 P25103 2/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6232981 0.94 KMT2A (0.60) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5406393 0.90 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5398801 0.89 KMT2A (0.54) KMT2AMEN1ALDH1A1HPGDLPAR1
SCHEMBL5394630 0.88 LPAR1 (0.53) KMT2AMEN1LPAR1LTB4R2
SCHEMBL5405911 0.88 TSHR (0.55) LPAR1LTB4R2
SCHEMBL5416796 0.88 KMT2A (0.53) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5403845 0.87 LTB4R2 (0.60) LPAR1LTB4R2
SCHEMBL5402445 0.86 TDP1 (0.52) KMT2AMEN1ALDH1A1LPAR1HSP90AA1
SCHEMBL5414113 0.86 LPAR1 (0.58) ALDH1A1LPAR1LTB4R2
SCHEMBL5407055 0.86 KMT2A (0.43) KMT2AMEN1ALDH1A1HPGDLPAR1

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 891/4885ALDH1A1 1256/4885

“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.