SCHEMBL5397939

SCHEMBL5397939

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2Cl)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
PPARA Q07869 1/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HCRTR2 O43614 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
APEX1 P27695 1/20 0.43
MAPK8 P45983 1/20 0.43
RAF1 P04049 1/20 0.43
MAP2K1 Q02750 1/20 0.43
NPC1 O15118 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
SCHEMBL5394264 0.94 KMT2A (0.51) KMT2APOLBTDP1LMNAHPGD
SCHEMBL5403001 0.94 KMT2A (0.51) KMT2APOLBTDP1LMNAHPGD
SCHEMBL5398706 0.92 POLB (0.53) KMT2APOLBLMNAHPGDPPARA
SCHEMBL5416775 0.91 KMT2A (0.54) KMT2APOLBLMNAHPGDPPARA
SCHEMBL5398618 0.90 KCNK3 (0.46) KMT2APOLBLMNAHPGDPPARA
SCHEMBL5400857 0.90 ALDH1A1 (0.50) KMT2ALMNAHPGDPPARAMAPT
SCHEMBL5398262 0.89 ALDH1A1 (0.52) KMT2ALMNAHPGDPPARAALDH1A1
SCHEMBL5405807 0.89 MAPK8 (0.50) KMT2ATDP1LMNAMAPTL3MBTL1
SCHEMBL5406253 0.89 ALDH1A1 (0.49) KMT2ATDP1LMNAHPGDMAPT
SCHEMBL5403362 0.88 KMT2A (0.55) KMT2AMAPTAPEX1

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 2451/4885POLB 527/4885TDP1 1939/4885

“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.