SCHEMBL5397644

SCHEMBL5397644

O=C(O)CCN(CCCc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KCNA5 P22460 3/20 0.48
KCNK3 O14649 1/20 0.42
KCNK5 O95279 1/20 0.42
KCNK17 Q96T54 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
LPAR1 Q92633 3/20 0.42
SLC6A5 Q9Y345 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5402080 0.95 KCNA5 (0.48) MAPTKCNA5KCNK3KCNK5KCNK17
SCHEMBL5401085 0.90 KCNA5 (0.49) MAPTKCNA5KCNK3KCNK5KCNK17
SCHEMBL5414359 0.90 KCNA5 (0.46) MAPTKCNA5KCNK3KCNK5KCNK17
SCHEMBL5401634 0.89 MAPT (0.44) MAPTKCNA5KCNK3KCNK5KCNK17
SCHEMBL5394244 0.89 KCNA5 (0.43) MAPTKCNA5KCNK3KCNK5KCNK17
SCHEMBL5394377 0.88 KCNA5 (0.46) MAPTKCNA5KCNK3KCNK5KCNK17
SCHEMBL5409246 0.87 LPAR1 (0.48) MAPTKCNA5LPAR1CHRNB2CHRNB4
SCHEMBL5392165 0.87 LMNA (0.53) MAPTLPAR1SLC6A5CHRNB2CHRNB4
SCHEMBL5403400 0.87 KMT2A (0.47) MAPTKCNA5KCNK3LMNAALDH1A1
SCHEMBL5397577 0.87 KCNA5 (0.56) MAPTKCNA5KCNK3KCNK5KCNK17

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 MAPT 457/4885KCNA5 3586/4885KCNK3 4364/4885

“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.