SCHEMBL5418249

SCHEMBL5418249

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2Cl)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPK8 P45983 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ISG15 P05161 1/20 0.41
USP5 P45974 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
USP16 Q9Y5T5 1/20 0.41
USP3 Q9Y6I4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RCE1 Q9Y256 1/20 0.41
TAS1R3 Q7RTX0 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
SCHEMBL5418600 0.93 HPGD (0.52) KMT2AMEN1ALDH1A1NPC1HPGD
SCHEMBL5406253 0.93 ALDH1A1 (0.49) KMT2AALDH1A1MAPK8L3MBTL1TDP1
SCHEMBL5406033 0.90 HPGD (0.45) ALDH1A1NPC1HPGDLMNAHTT
SCHEMBL5394257 0.90 HPGD (0.51) KMT2AMEN1ALDH1A1NPC1HPGD
SCHEMBL5402383 0.90 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1NPC1
SCHEMBL5406171 0.90 KCNA5 (0.45) ALDH1A1HPGDMAPTLMNAHDAC6
SCHEMBL5401059 0.89 CHRNB2 (0.51) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5397117 0.88 APEX1 (0.52) KMT2AMEN1L3MBTL1HPGDHTT
SCHEMBL5401077 0.87 KCNA5 (0.47) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL5409462 0.87 KMT2A (0.49) KMT2AMEN1ALDH1A1L3MBTL1HPGD

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.