SCHEMBL5409599

SCHEMBL5409599

COc1ccc(CN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCN(C)C)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
LPAR1 Q92633 8/20 0.54
TSHR P16473 3/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LPAR5 Q9H1C0 1/20 0.49
ACHE P22303 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5407161 0.95 LPAR1 (0.55) TDP1TP53THRBLPAR1TSHR
SCHEMBL5402854 0.92 TDP1 (0.59) TDP1TP53THRBLPAR1TSHR
SCHEMBL5409522 0.91 TDP1 (0.58) TDP1TP53THRBLPAR1TSHR
SCHEMBL5397896 0.91 KMT2A (0.52) TP53THRBLPAR1TSHRMEN1
SCHEMBL5406852 0.90 TDP1 (0.59) TDP1TP53THRBLPAR1TSHR
SCHEMBL5409899 0.88 LPAR1 (0.58) TDP1LPAR1TSHRHDAC1HDAC6
SCHEMBL5399038 0.88 LPAR1 (0.50) TDP1TP53THRBLPAR1TSHR
SCHEMBL5399052 0.87 LPAR1 (0.50) TDP1TP53THRBLPAR1TSHR
SCHEMBL5402850 0.87 MEN1 (0.46) TDP1TP53THRBLPAR1TSHR
SCHEMBL5395922 0.86 TDP1 (0.55) TDP1LPAR1TSHRHDAC1HDAC6

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 TDP1 1939/4885TP53 32/4885THRB 2049/4885

“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.