SCHEMBL5401992

SCHEMBL5401992

COc1ccc(CN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.55
KCNA5 P22460 2/20 0.55
KCNK5 O95279 1/20 0.55
KCNK17 Q96T54 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LPAR1 Q92633 5/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
RAB9A P51151 1/20 0.44
LPAR5 Q9H1C0 1/20 0.43
TSHR P16473 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5405796 0.92 KCNK3 (0.54) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5403255 0.91 KCNA5 (0.56) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5393984 0.91 HDAC1 (0.49) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5392697 0.91 KCNA5 (0.48) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5394243 0.90 TAS1R3 (0.52) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5397765 0.90 HDAC1 (0.49) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5412231 0.90 KCNA5 (0.48) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5403175 0.90 HDAC1 (0.59) HDAC1HDAC6TDP1MEN1KMT2A
SCHEMBL5409503 0.89 MAPK8 (0.51) KCNK3KCNA5KCNK5KCNK17KCNK9
SCHEMBL5402486 0.89 HDAC1 (0.55) KCNK3KCNA5KCNK5KCNK17KCNK9

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 KCNK3 4364/4885KCNA5 3586/4885KCNK5 4340/4885

“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.