SCHEMBL5404244

SCHEMBL5404244

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
APEX1 P27695 1/20 0.45
TP53 P04637 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HCRTR1 O43613 1/20 0.42
GID4 Q8IVV7 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
MAPT P10636 2/20 0.41
CNR2 P34972 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALOX5 P09917 1/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5397730 0.93 RAB9A (0.49) RAB9AAPEX1MEN1KMT2AHCRTR1
SCHEMBL5397143 0.92 RAB9A (0.53) RAB9AAPEX1MEN1KMT2AHCRTR1
SCHEMBL4930170 0.91 TP53 (0.47) RAB9ATP53MEN1KMT2AFFAR1
SCHEMBL5392184 0.91 MEN1 (0.47) RAB9ATP53MEN1KMT2AMAPT
SCHEMBL5404109 0.91 LTB4R (0.46) RAB9ATP53MEN1KMT2AMAPT
SCHEMBL5400979 0.90 APEX1 (0.48) RAB9AAPEX1MEN1KMT2AHCRTR1
SCHEMBL5406401 0.90 RAB9A (0.45) RAB9ATP53MEN1KMT2AMAPT
SCHEMBL5396038 0.90 RAB9A (0.59) RAB9AAPEX1TP53MEN1KMT2A
SCHEMBL5399021 0.89 MEN1 (0.47) RAB9AAPEX1MEN1KMT2AHCRTR1
SCHEMBL4929716 0.88 RAB9A (0.47) RAB9ATP53KMT2AMAPTHTT

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 2957/4885TP53 32/4885

“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.