SCHEMBL5409385

SCHEMBL5409385

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cc(F)cc(F)c2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.45
PPARA Q07869 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
APEX1 P27695 1/20 0.41
APP P05067 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL5405907 0.97 LMNA (0.45) MEN1KMT2ALMNAPPARATP53
SCHEMBL5401067 0.94 LMNA (0.47) MEN1KMT2ALMNAPPARATP53
SCHEMBL5398027 0.94 APEX1 (0.46) MEN1KMT2ALMNAPPARATP53
SCHEMBL5392923 0.94 MEN1 (0.55) MEN1KMT2ALMNAPPARATP53
SCHEMBL5403132 0.93 LMNA (0.48) LMNAPPARATP53MAPTPPARG
SCHEMBL4928591 0.91 LMNA (0.47) MEN1KMT2ALMNAPPARATP53
SCHEMBL5394236 0.91 MEN1 (0.51) MEN1KMT2ALMNAPPARAPPARG
SCHEMBL5392437 0.90 LMNA (0.46) MEN1KMT2ALMNAPPARATP53
SCHEMBL5397415 0.90 PPARA (0.46) LMNAPPARATP53MAPTPPARG
SCHEMBL5409172 0.90 MEN1 (0.44) MEN1KMT2ALMNAPPARATP53

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 2451/4885LMNA 308/4885

“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.