SCHEMBL5409193

SCHEMBL5409193

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1cccs1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LTA4H P09960 1/20 0.37
LMNA P02545 1/20 0.37
ADAM17 P78536 1/20 0.36
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.36
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5407120 0.91 KMT2A (0.41) TDP1POLBMEN1KMT2AALDH1A1
SCHEMBL5404063 0.88 KDM4A (0.40) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL5402960 0.87 ALDH1A1 (0.43) TSHRTDP1POLBMEN1KMT2A
SCHEMBL5399037 0.87 TRPM8 (0.39) TDP1MEN1KMT2ATRPM8ALDH1A1
SCHEMBL5399258 0.87 POLB (0.36) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL5401280 0.86 TSHR (0.43) TSHRTDP1POLBMEN1KMT2A
SCHEMBL5399274 0.85 KMT2A (0.52) TSHRTDP1POLBMEN1KMT2A
SCHEMBL5399135 0.85 CYP2D6 (0.43) TSHRTDP1POLBMEN1KMT2A
SCHEMBL5404093 0.85 HCRTR1 (0.40) TSHRPOLBALDH1A1LMNANPC1
SCHEMBL5399122 0.84 MEN1 (0.39) TDP1MEN1KMT2AALDH1A1NPC1

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 TSHR 3382/4885TDP1 1939/4885POLB 527/4885

“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.