SCHEMBL5402546

SCHEMBL5402546

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)Cc2ccccc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LPAR1 Q92633 3/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
BCHE P06276 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5402261 0.92 KMT2A (0.50) KMT2AMEN1ALDH1A1NPC1LPAR1
SCHEMBL5402977 0.91 LPAR1 (0.47) KMT2AMEN1ALDH1A1LPAR1BCHE
SCHEMBL5394210 0.91 LPAR1 (0.46) KMT2AMEN1LPAR1BCHECTSG
SCHEMBL5409338 0.90 LPAR1 (0.50) KMT2AMEN1ALDH1A1LPAR1GAA
SCHEMBL5398909 0.88 LPAR1 (0.51) LPAR1
SCHEMBL5412268 0.87 KMT2A (0.42) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5394257 0.86 HPGD (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5392507 0.85 TAAR1 (0.48) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5403464 0.85 KMT2A (0.48) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5394500 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1LPAR1HSD17B1

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.