SCHEMBL5407730

SCHEMBL5407730

COc1ccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)N(CCC(=O)O)CCc2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.57
KCNH2 Q12809 1/20 0.57
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
USP2 O75604 1/20 0.46
PDK1 Q15118 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL5412112 0.97 KCNK3 (0.55) KCNK3KCNH2KMT2AHTTGAA
SCHEMBL5403888 0.92 KCNK3 (0.53) KCNK3KCNH2KMT2AHTTGAA
SCHEMBL5408552 0.92 HTT (0.59) KMT2AHTTUSP2LMNAHPGD
SCHEMBL5394126 0.92 RAB9A (0.59) KCNK3KCNH2KMT2AHTTGAA
SCHEMBL5398082 0.91 ALDH1A1 (0.54) KMT2AMEN1MAPTRAB9AHPGD
SCHEMBL5402499 0.91 ALDH1A1 (0.54) KMT2AMEN1MAPTRAB9AHPGD
SCHEMBL4930711 0.91 KMT2A (0.52) KCNK3KCNH2KMT2AHTTGAA
SCHEMBL5402909 0.90 KMT2A (0.54) KCNK3KCNH2KMT2AHTTGAA
SCHEMBL5414282 0.90 KMT2A (0.53) KCNK3KCNH2KMT2AHTTMEN1
SCHEMBL5392894 0.90 POLB (0.50) KCNK3KCNH2KMT2AHTTMEN1

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 4364/4885KCNH2 3916/4885KMT2A 2451/4885

“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.