SCHEMBL5409172

SCHEMBL5409172

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cc(F)ccc2F)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNA5 P22460 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK5 O95279 1/20 0.44
KCNK17 Q96T54 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PPARA Q07869 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL5405822 0.97 SMN1; SMN2 (0.46) MEN1KMT2AKCNA5KCNK3KCNK5
SCHEMBL5418628 0.95 KCNA5 (0.47) MEN1KMT2AKCNA5KCNK3KCNK5
SCHEMBL5399414 0.94 SMN1; SMN2 (0.47) MEN1KMT2AKCNA5KCNK3KCNK5
SCHEMBL5401067 0.92 LMNA (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5402571 0.91 POLB (0.46) KMT2ALMNAALDH1A1HPGDHTT
SCHEMBL5405645 0.91 SMN1; SMN2 (0.51) KMT2AKCNA5KCNK3KCNK5KCNK17
SCHEMBL5392923 0.90 MEN1 (0.55) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5409385 0.90 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5406603 0.89 MEN1 (0.44) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4928591 0.89 LMNA (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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 MEN1 891/4885KMT2A 2451/4885KCNA5 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.