SCHEMBL5407032

SCHEMBL5407032

COc1ccc(CN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cc(F)cc(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KCNK3 O14649 1/20 0.49
KCNK5 O95279 1/20 0.49
KCNA5 P22460 1/20 0.49
KCNK17 Q96T54 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.45
LPAR1 Q92633 3/20 0.45
HPGD P15428 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PDK1 Q15118 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL5406209 0.93 RAB9A (0.54) HDAC1HDAC6KCNK3KCNK5KCNA5
SCHEMBL5402486 0.93 HDAC1 (0.55) HDAC1HDAC6KCNK3KCNK5KCNA5
SCHEMBL5403231 0.93 HDAC1 (0.55) HDAC1HDAC6KCNK3KCNK5KCNA5
SCHEMBL5398521 0.92 KCNK3 (0.48) HDAC1HDAC6KCNK3KCNK5KCNA5
SCHEMBL5403175 0.92 HDAC1 (0.59) HDAC1HDAC6RAB9ATDP1TSHR
SCHEMBL5397479 0.91 HDAC1 (0.61) HDAC1HDAC6RAB9ATDP1TSHR
SCHEMBL5407093 0.91 HDAC1 (0.61) HDAC1HDAC6RAB9ATDP1TSHR
SCHEMBL5402319 0.91 KMT2A (0.48) HDAC1HDAC6KCNA5RAB9ALPAR1
SCHEMBL5405755 0.91 CHRNB2 (0.46) HDAC1HDAC6KCNA5RAB9ATSHR
SCHEMBL5392918 0.88 RAB9A (0.65) HDAC1HDAC6RAB9ATDP1TSHR

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 HDAC1 2189/4885HDAC6 2386/4885KCNK3 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.