SCHEMBL5409429

SCHEMBL5409429

CCOc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
RAB9A P51151 1/20 0.44
KCNA5 P22460 2/20 0.43
KCNK3 O14649 1/20 0.41
KCNK5 O95279 1/20 0.41
KCNK17 Q96T54 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
DHODH Q02127 2/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CNR2 P34972 1/20 0.38
KLKB1 P03952 1/20 0.37

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
SCHEMBL5392416 0.93 KCNA5 (0.43) LMNARAB9AKCNA5KCNK3KCNK5
SCHEMBL5394169 0.93 RAB9A (0.45) LMNARAB9AKCNA5LTB4RLTB4R2
SCHEMBL5416629 0.92 RAB9A (0.55) LMNARAB9AKCNA5KCNK3KCNK5
SCHEMBL5403769 0.91 RAB9A (0.45) LMNARAB9ALTB4RLTB4R2ALDH1A1
SCHEMBL5395905 0.91 LMNA (0.48) LMNARAB9AKCNA5KCNK3KCNK5
SCHEMBL5401008 0.91 RAB9A (0.52) RAB9ALTB4RLTB4R2ALDH1A1KDM4E
SCHEMBL5402540 0.90 L3MBTL1 (0.46) LMNARAB9ALTB4RLTB4R2ALDH1A1
SCHEMBL5402234 0.89 RAB9A (0.48) RAB9AALDH1A1KDM4EKMT2AHPGD
SCHEMBL5392864 0.89 CHRNB2 (0.48) LMNARAB9ALTB4RLTB4R2KMT2A
SCHEMBL5394436 0.89 RAB9A (0.47) LMNARAB9AALDH1A1KDM4EKMT2A

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 LMNA 308/4885RAB9A 3132/4885KCNA5 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.