SCHEMBL5397971

SCHEMBL5397971

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
APP P05067 1/20 0.44
PPARA Q07869 1/20 0.42
PDE10A Q9Y233 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HPGD P15428 1/20 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
SCHEMBL5398963 0.97 KMT2A (0.48) KMT2ALMNAPOLBMEN1APP
SCHEMBL5416775 0.94 KMT2A (0.54) KMT2ALMNAPOLBMEN1PPARA
SCHEMBL5399251 0.94 POLB (0.46) KMT2ALMNAPOLBAPPPPARA
SCHEMBL5394264 0.91 KMT2A (0.51) KMT2ALMNAPOLBMEN1APP
SCHEMBL5405645 0.91 SMN1; SMN2 (0.51) KMT2ALMNAAPPPPARAPDE10A
SCHEMBL5403428 0.91 APP (0.49) LMNAAPPPPARASMN1; SMN2HTT
SCHEMBL5402571 0.90 POLB (0.46) KMT2ALMNAPOLBPPARAGAA
SCHEMBL4931284 0.90 PPARA (0.46) LMNAAPPPPARAKDM4EHPGD
SCHEMBL5394185 0.90 KMT2A (0.51) KMT2ALMNAMEN1APPPPARA
SCHEMBL4921807 0.89 LMNA (0.46) KMT2ALMNAPOLBMEN1APP

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 KMT2A 2451/4885LMNA 308/4885POLB 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.