SCHEMBL5403464

SCHEMBL5403464

CCOc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)N(C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
LPAR1 Q92633 1/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL5402410 0.91 TSHR (0.46) KMT2AMEN1ALDH1A1LMNAHSD17B10
SCHEMBL5397135 0.91 LPAR1 (0.42) KMT2AMEN1MAPTLPAR1THRB
SCHEMBL5402261 0.90 KMT2A (0.50) KMT2AMEN1ALDH1A1HPGDLPAR1
SCHEMBL5407075 0.90 LPAR1 (0.45) ALDH1A1MAPTLPAR1THRB
SCHEMBL5401293 0.89 LTB4R2 (0.48) LMNAMAPTLPAR1
SCHEMBL5398782 0.86 HCRTR1 (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5394661 0.86 NPSR1 (0.47) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5402294 0.85 LTB4R (0.49) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5405330 0.85 KMT2A (0.55) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5394246 0.85 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTNPC1

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.