SCHEMBL5409129

SCHEMBL5409129

COc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(Cl)c2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
APEX1 P27695 2/20 0.51
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDE10A Q9Y233 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
SCHEMBL5400809 0.95 RAB9A (0.61) RAB9AAPEX1ALDH1A1KDM4EUSP2
SCHEMBL5397143 0.93 RAB9A (0.53) RAB9AAPEX1ALDH1A1KDM4EUSP2
SCHEMBL5409010 0.93 RAB9A (0.65) RAB9AAPEX1ALDH1A1KDM4EUSP2
SCHEMBL5407023 0.92 RAB9A (0.57) RAB9AAPEX1ALDH1A1KDM4EUSP2
SCHEMBL4930672 0.91 RAB9A (0.50) RAB9AALDH1A1KDM4EUSP2HPGD
SCHEMBL5393982 0.90 RAB9A (0.56) RAB9AAPEX1ALDH1A1KDM4EUSP2
SCHEMBL5400979 0.90 APEX1 (0.48) RAB9AAPEX1ALDH1A1LMNAMEN1
SCHEMBL5399168 0.90 RAB9A (0.56) RAB9AAPEX1ALDH1A1KDM4EUSP2
SCHEMBL5398996 0.89 RAB9A (0.67) RAB9AAPEX1ALDH1A1KDM4EUSP2
SCHEMBL5399552 0.89 RAB9A (0.67) RAB9AAPEX1ALDH1A1KDM4EUSP2

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 RAB9A 3132/4885APEX1 2957/4885ALDH1A1 1256/4885

“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.