SCHEMBL5403388

SCHEMBL5403388

O=C(O)CCN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KCNA5 P22460 5/20 0.42
KCNA3 P22001 2/20 0.42
KCNK3 O14649 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SORT1 Q99523 1/20 0.39
GNRHR P30968 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5404003 0.91 LMNA (0.48) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5402839 0.89 LMNA (0.61) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5404179 0.87 KMT2A (0.49) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5409126 0.86 LMNA (0.46) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5409280 0.86 RAB9A (0.44) HTTKCNA5SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5392961 0.86 LMNA (0.47) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5409102 0.86 ALDH1A1 (0.47) LMNAHTTSMN1; SMN2ALDH1A1MAPK14
SCHEMBL5399002 0.86 LMNA (0.45) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5404039 0.84 CHRNB2 (0.53) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5394224 0.84 HTT (0.50) LMNAHTTKCNK3ALDH1A1HPGD

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 3791/4885KCNA5 3586/4885

“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.