SCHEMBL5402839

SCHEMBL5402839

O=C(O)CCN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
HPGD P15428 3/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNA5 P22460 5/20 0.46
KCNA3 P22001 2/20 0.46
KCNK3 O14649 1/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SORT1 Q99523 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
SCHEMBL5403484 0.94 LMNA (0.58) LMNAHTTHPGDALDH1A1SMN1; SMN2
SCHEMBL5399581 0.91 LMNA (0.55) LMNAHTTHPGDALDH1A1SMN1; SMN2
SCHEMBL5409823 0.91 LMNA (0.57) LMNAHTTHPGDALDH1A1SMN1; SMN2
SCHEMBL5404096 0.91 LMNA (0.50) LMNAHTTHPGDALDH1A1KMT2A
SCHEMBL5404179 0.89 KMT2A (0.49) LMNAHTTKMT2AKCNA5KCNA3
SCHEMBL5406269 0.89 LMNA (0.48) LMNAHTTHPGDALDH1A1SMN1; SMN2
SCHEMBL5394599 0.89 LMNA (0.48) LMNAHTTHPGDALDH1A1SMN1; SMN2
SCHEMBL5399350 0.89 HTT (0.53) LMNAHTTHPGDALDH1A1SMN1; SMN2
SCHEMBL5394218 0.89 KCNA5 (0.49) LMNAHTTHPGDALDH1A1KCNA5
SCHEMBL5404003 0.89 LMNA (0.48) LMNAHTTHPGDALDH1A1SMN1; SMN2

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 LMNA 308/4885HTT 3791/4885HPGD 1078/4885

“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.